data_10314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10314 _Entry.Title ; Solution structure of the PH domain of Evectin-2 from mouse ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-11 _Entry.Accession_date 2009-03-11 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10314 2 M. Yoneyama . . . 10314 3 S. Koshiba . . . 10314 4 M. Inoue . . . 10314 5 T. Kigawa . . . 10314 6 S. Yokoyama . . . 10314 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 512 10314 '15N chemical shifts' 122 10314 '1H chemical shifts' 806 10314 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-11 2009-03-11 original author . 10314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DHI 'BMRB Entry Tracking System' 10314 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the PH domain of Evectin-2 from mouse' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10314 1 2 M. Yoneyama . . . 10314 1 3 S. Koshiba . . . 10314 1 4 M. Inoue . . . 10314 1 5 T. Kigawa . . . 10314 1 6 S. Yokoyama . . . 10314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10314 _Assembly.ID 1 _Assembly.Name 'Pleckstrin homology domain-containing family B member 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity_1 . . yes native no no . . . 10314 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2DHI . . . . . . 10314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGFVKSGWLLRQSTI LKRWKKNWFDLWSDGHLIYY DDQTRQSIEDKVHMPVDCIN IRTGHECRDIQPPDGKPRDC LLQIVCRDGKTISLCAESTD DCLAWKFTLQDSRTSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DHI . "Solution Structure Of The Ph Domain Of Evectin-2 From Mouse" . . . . . 100.00 120 100.00 100.00 3.96e-81 . . . . 10314 1 2 no DBJ BAC38413 . "unnamed protein product [Mus musculus]" . . . . . 90.83 204 98.17 99.08 3.01e-74 . . . . 10314 1 3 no GB EDL14464 . "pleckstrin homology domain containing, family B (evectins) member 2, isoform CRA_a, partial [Mus musculus]" . . . . . 80.83 195 98.97 100.00 1.14e-65 . . . . 10314 1 4 no GB EDL14465 . "pleckstrin homology domain containing, family B (evectins) member 2, isoform CRA_b, partial [Mus musculus]" . . . . . 80.83 218 98.97 100.00 1.01e-65 . . . . 10314 1 5 no GB EDL99298 . "pleckstrin homology domain containing, family B (evectins) member 2 (predicted), isoform CRA_c [Rattus norvegicus]" . . . . . 51.67 173 98.39 100.00 3.13e-37 . . . . 10314 1 6 no REF XP_007464518 . "PREDICTED: pleckstrin homology domain-containing family B member 2 isoform X6 [Lipotes vexillifer]" . . . . . 80.83 170 96.91 98.97 2.04e-63 . . . . 10314 1 7 no REF XP_012391058 . "PREDICTED: pleckstrin homology domain-containing family B member 2 isoform X9 [Orcinus orca]" . . . . . 80.83 170 96.91 98.97 1.39e-63 . . . . 10314 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10314 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10314 1 2 . SER . 10314 1 3 . SER . 10314 1 4 . GLY . 10314 1 5 . SER . 10314 1 6 . SER . 10314 1 7 . GLY . 10314 1 8 . PHE . 10314 1 9 . VAL . 10314 1 10 . LYS . 10314 1 11 . SER . 10314 1 12 . GLY . 10314 1 13 . TRP . 10314 1 14 . LEU . 10314 1 15 . LEU . 10314 1 16 . ARG . 10314 1 17 . GLN . 10314 1 18 . SER . 10314 1 19 . THR . 10314 1 20 . ILE . 10314 1 21 . LEU . 10314 1 22 . LYS . 10314 1 23 . ARG . 10314 1 24 . TRP . 10314 1 25 . LYS . 10314 1 26 . LYS . 10314 1 27 . ASN . 10314 1 28 . TRP . 10314 1 29 . PHE . 10314 1 30 . ASP . 10314 1 31 . LEU . 10314 1 32 . TRP . 10314 1 33 . SER . 10314 1 34 . ASP . 10314 1 35 . GLY . 10314 1 36 . HIS . 10314 1 37 . LEU . 10314 1 38 . ILE . 10314 1 39 . TYR . 10314 1 40 . TYR . 10314 1 41 . ASP . 10314 1 42 . ASP . 10314 1 43 . GLN . 10314 1 44 . THR . 10314 1 45 . ARG . 10314 1 46 . GLN . 10314 1 47 . SER . 10314 1 48 . ILE . 10314 1 49 . GLU . 10314 1 50 . ASP . 10314 1 51 . LYS . 10314 1 52 . VAL . 10314 1 53 . HIS . 10314 1 54 . MET . 10314 1 55 . PRO . 10314 1 56 . VAL . 10314 1 57 . ASP . 10314 1 58 . CYS . 10314 1 59 . ILE . 10314 1 60 . ASN . 10314 1 61 . ILE . 10314 1 62 . ARG . 10314 1 63 . THR . 10314 1 64 . GLY . 10314 1 65 . HIS . 10314 1 66 . GLU . 10314 1 67 . CYS . 10314 1 68 . ARG . 10314 1 69 . ASP . 10314 1 70 . ILE . 10314 1 71 . GLN . 10314 1 72 . PRO . 10314 1 73 . PRO . 10314 1 74 . ASP . 10314 1 75 . GLY . 10314 1 76 . LYS . 10314 1 77 . PRO . 10314 1 78 . ARG . 10314 1 79 . ASP . 10314 1 80 . CYS . 10314 1 81 . LEU . 10314 1 82 . LEU . 10314 1 83 . GLN . 10314 1 84 . ILE . 10314 1 85 . VAL . 10314 1 86 . CYS . 10314 1 87 . ARG . 10314 1 88 . ASP . 10314 1 89 . GLY . 10314 1 90 . LYS . 10314 1 91 . THR . 10314 1 92 . ILE . 10314 1 93 . SER . 10314 1 94 . LEU . 10314 1 95 . CYS . 10314 1 96 . ALA . 10314 1 97 . GLU . 10314 1 98 . SER . 10314 1 99 . THR . 10314 1 100 . ASP . 10314 1 101 . ASP . 10314 1 102 . CYS . 10314 1 103 . LEU . 10314 1 104 . ALA . 10314 1 105 . TRP . 10314 1 106 . LYS . 10314 1 107 . PHE . 10314 1 108 . THR . 10314 1 109 . LEU . 10314 1 110 . GLN . 10314 1 111 . ASP . 10314 1 112 . SER . 10314 1 113 . ARG . 10314 1 114 . THR . 10314 1 115 . SER . 10314 1 116 . GLY . 10314 1 117 . PRO . 10314 1 118 . SER . 10314 1 119 . SER . 10314 1 120 . GLY . 10314 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10314 1 . SER 2 2 10314 1 . SER 3 3 10314 1 . GLY 4 4 10314 1 . SER 5 5 10314 1 . SER 6 6 10314 1 . GLY 7 7 10314 1 . PHE 8 8 10314 1 . VAL 9 9 10314 1 . LYS 10 10 10314 1 . SER 11 11 10314 1 . GLY 12 12 10314 1 . TRP 13 13 10314 1 . LEU 14 14 10314 1 . LEU 15 15 10314 1 . ARG 16 16 10314 1 . GLN 17 17 10314 1 . SER 18 18 10314 1 . THR 19 19 10314 1 . ILE 20 20 10314 1 . LEU 21 21 10314 1 . LYS 22 22 10314 1 . ARG 23 23 10314 1 . TRP 24 24 10314 1 . LYS 25 25 10314 1 . LYS 26 26 10314 1 . ASN 27 27 10314 1 . TRP 28 28 10314 1 . PHE 29 29 10314 1 . ASP 30 30 10314 1 . LEU 31 31 10314 1 . TRP 32 32 10314 1 . SER 33 33 10314 1 . ASP 34 34 10314 1 . GLY 35 35 10314 1 . HIS 36 36 10314 1 . LEU 37 37 10314 1 . ILE 38 38 10314 1 . TYR 39 39 10314 1 . TYR 40 40 10314 1 . ASP 41 41 10314 1 . ASP 42 42 10314 1 . GLN 43 43 10314 1 . THR 44 44 10314 1 . ARG 45 45 10314 1 . GLN 46 46 10314 1 . SER 47 47 10314 1 . ILE 48 48 10314 1 . GLU 49 49 10314 1 . ASP 50 50 10314 1 . LYS 51 51 10314 1 . VAL 52 52 10314 1 . HIS 53 53 10314 1 . MET 54 54 10314 1 . PRO 55 55 10314 1 . VAL 56 56 10314 1 . ASP 57 57 10314 1 . CYS 58 58 10314 1 . ILE 59 59 10314 1 . ASN 60 60 10314 1 . ILE 61 61 10314 1 . ARG 62 62 10314 1 . THR 63 63 10314 1 . GLY 64 64 10314 1 . HIS 65 65 10314 1 . GLU 66 66 10314 1 . CYS 67 67 10314 1 . ARG 68 68 10314 1 . ASP 69 69 10314 1 . ILE 70 70 10314 1 . GLN 71 71 10314 1 . PRO 72 72 10314 1 . PRO 73 73 10314 1 . ASP 74 74 10314 1 . GLY 75 75 10314 1 . LYS 76 76 10314 1 . PRO 77 77 10314 1 . ARG 78 78 10314 1 . ASP 79 79 10314 1 . CYS 80 80 10314 1 . LEU 81 81 10314 1 . LEU 82 82 10314 1 . GLN 83 83 10314 1 . ILE 84 84 10314 1 . VAL 85 85 10314 1 . CYS 86 86 10314 1 . ARG 87 87 10314 1 . ASP 88 88 10314 1 . GLY 89 89 10314 1 . LYS 90 90 10314 1 . THR 91 91 10314 1 . ILE 92 92 10314 1 . SER 93 93 10314 1 . LEU 94 94 10314 1 . CYS 95 95 10314 1 . ALA 96 96 10314 1 . GLU 97 97 10314 1 . SER 98 98 10314 1 . THR 99 99 10314 1 . ASP 100 100 10314 1 . ASP 101 101 10314 1 . CYS 102 102 10314 1 . LEU 103 103 10314 1 . ALA 104 104 10314 1 . TRP 105 105 10314 1 . LYS 106 106 10314 1 . PHE 107 107 10314 1 . THR 108 108 10314 1 . LEU 109 109 10314 1 . GLN 110 110 10314 1 . ASP 111 111 10314 1 . SER 112 112 10314 1 . ARG 113 113 10314 1 . THR 114 114 10314 1 . SER 115 115 10314 1 . GLY 116 116 10314 1 . PRO 117 117 10314 1 . SER 118 118 10314 1 . SER 119 119 10314 1 . GLY 120 120 10314 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10314 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10314 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 10314 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell-free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050829-08 . . . . . . 10314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10314 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.24 . . mM . . . . 10314 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10314 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10314 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10314 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10314 1 6 H2O . . . . . . solvent 90 . . % . . . . 10314 1 7 D2O . . . . . . solvent 10 . . % . . . . 10314 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10314 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10314 1 pH 7.0 0.05 pH 10314 1 pressure 1 0.001 atm 10314 1 temperature 298 0.1 K 10314 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10314 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10314 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10314 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10314 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10314 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10314 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10314 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10314 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10314 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10314 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10314 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10314 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10314 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10314 5 'structure solution' 10314 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10314 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10314 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10314 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10314 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10314 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10314 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10314 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10314 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10314 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10314 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.382 0.030 . 1 . . . . 6 SER HA . 10314 1 2 . 1 1 6 6 SER HB2 H 1 3.770 0.030 . 1 . . . . 6 SER HB2 . 10314 1 3 . 1 1 6 6 SER HB3 H 1 3.770 0.030 . 1 . . . . 6 SER HB3 . 10314 1 4 . 1 1 6 6 SER C C 13 174.391 0.300 . 1 . . . . 6 SER C . 10314 1 5 . 1 1 6 6 SER CA C 13 58.506 0.300 . 1 . . . . 6 SER CA . 10314 1 6 . 1 1 6 6 SER CB C 13 63.985 0.300 . 1 . . . . 6 SER CB . 10314 1 7 . 1 1 7 7 GLY H H 1 8.108 0.030 . 1 . . . . 7 GLY H . 10314 1 8 . 1 1 7 7 GLY HA2 H 1 3.738 0.030 . 1 . . . . 7 GLY HA2 . 10314 1 9 . 1 1 7 7 GLY HA3 H 1 3.738 0.030 . 1 . . . . 7 GLY HA3 . 10314 1 10 . 1 1 7 7 GLY C C 13 173.619 0.300 . 1 . . . . 7 GLY C . 10314 1 11 . 1 1 7 7 GLY CA C 13 44.910 0.300 . 1 . . . . 7 GLY CA . 10314 1 12 . 1 1 7 7 GLY N N 15 109.823 0.300 . 1 . . . . 7 GLY N . 10314 1 13 . 1 1 8 8 PHE H H 1 7.994 0.030 . 1 . . . . 8 PHE H . 10314 1 14 . 1 1 8 8 PHE HA H 1 4.997 0.030 . 1 . . . . 8 PHE HA . 10314 1 15 . 1 1 8 8 PHE HB2 H 1 3.216 0.030 . 2 . . . . 8 PHE HB2 . 10314 1 16 . 1 1 8 8 PHE HB3 H 1 2.810 0.030 . 2 . . . . 8 PHE HB3 . 10314 1 17 . 1 1 8 8 PHE HD1 H 1 7.013 0.030 . 1 . . . . 8 PHE HD1 . 10314 1 18 . 1 1 8 8 PHE HD2 H 1 7.013 0.030 . 1 . . . . 8 PHE HD2 . 10314 1 19 . 1 1 8 8 PHE HE1 H 1 6.966 0.030 . 1 . . . . 8 PHE HE1 . 10314 1 20 . 1 1 8 8 PHE HE2 H 1 6.966 0.030 . 1 . . . . 8 PHE HE2 . 10314 1 21 . 1 1 8 8 PHE HZ H 1 7.152 0.030 . 1 . . . . 8 PHE HZ . 10314 1 22 . 1 1 8 8 PHE C C 13 176.389 0.300 . 1 . . . . 8 PHE C . 10314 1 23 . 1 1 8 8 PHE CA C 13 56.027 0.300 . 1 . . . . 8 PHE CA . 10314 1 24 . 1 1 8 8 PHE CB C 13 38.981 0.300 . 1 . . . . 8 PHE CB . 10314 1 25 . 1 1 8 8 PHE CD1 C 13 130.658 0.300 . 1 . . . . 8 PHE CD1 . 10314 1 26 . 1 1 8 8 PHE CD2 C 13 130.658 0.300 . 1 . . . . 8 PHE CD2 . 10314 1 27 . 1 1 8 8 PHE CE1 C 13 131.457 0.300 . 1 . . . . 8 PHE CE1 . 10314 1 28 . 1 1 8 8 PHE CE2 C 13 131.457 0.300 . 1 . . . . 8 PHE CE2 . 10314 1 29 . 1 1 8 8 PHE CZ C 13 129.558 0.300 . 1 . . . . 8 PHE CZ . 10314 1 30 . 1 1 8 8 PHE N N 15 119.445 0.300 . 1 . . . . 8 PHE N . 10314 1 31 . 1 1 9 9 VAL H H 1 9.270 0.030 . 1 . . . . 9 VAL H . 10314 1 32 . 1 1 9 9 VAL HA H 1 3.862 0.030 . 1 . . . . 9 VAL HA . 10314 1 33 . 1 1 9 9 VAL HB H 1 1.768 0.030 . 1 . . . . 9 VAL HB . 10314 1 34 . 1 1 9 9 VAL HG11 H 1 0.974 0.030 . 1 . . . . 9 VAL HG1 . 10314 1 35 . 1 1 9 9 VAL HG12 H 1 0.974 0.030 . 1 . . . . 9 VAL HG1 . 10314 1 36 . 1 1 9 9 VAL HG13 H 1 0.974 0.030 . 1 . . . . 9 VAL HG1 . 10314 1 37 . 1 1 9 9 VAL HG21 H 1 0.975 0.030 . 1 . . . . 9 VAL HG2 . 10314 1 38 . 1 1 9 9 VAL HG22 H 1 0.975 0.030 . 1 . . . . 9 VAL HG2 . 10314 1 39 . 1 1 9 9 VAL HG23 H 1 0.975 0.030 . 1 . . . . 9 VAL HG2 . 10314 1 40 . 1 1 9 9 VAL C C 13 176.538 0.300 . 1 . . . . 9 VAL C . 10314 1 41 . 1 1 9 9 VAL CA C 13 64.738 0.300 . 1 . . . . 9 VAL CA . 10314 1 42 . 1 1 9 9 VAL CB C 13 32.937 0.300 . 1 . . . . 9 VAL CB . 10314 1 43 . 1 1 9 9 VAL CG1 C 13 21.121 0.300 . 2 . . . . 9 VAL CG1 . 10314 1 44 . 1 1 9 9 VAL CG2 C 13 21.519 0.300 . 2 . . . . 9 VAL CG2 . 10314 1 45 . 1 1 9 9 VAL N N 15 123.206 0.300 . 1 . . . . 9 VAL N . 10314 1 46 . 1 1 10 10 LYS H H 1 7.380 0.030 . 1 . . . . 10 LYS H . 10314 1 47 . 1 1 10 10 LYS HA H 1 4.244 0.030 . 1 . . . . 10 LYS HA . 10314 1 48 . 1 1 10 10 LYS HB2 H 1 1.476 0.030 . 2 . . . . 10 LYS HB2 . 10314 1 49 . 1 1 10 10 LYS HB3 H 1 0.987 0.030 . 2 . . . . 10 LYS HB3 . 10314 1 50 . 1 1 10 10 LYS HD2 H 1 -0.256 0.030 . 2 . . . . 10 LYS HD2 . 10314 1 51 . 1 1 10 10 LYS HD3 H 1 0.913 0.030 . 2 . . . . 10 LYS HD3 . 10314 1 52 . 1 1 10 10 LYS HE2 H 1 1.620 0.030 . 2 . . . . 10 LYS HE2 . 10314 1 53 . 1 1 10 10 LYS HE3 H 1 1.015 0.030 . 2 . . . . 10 LYS HE3 . 10314 1 54 . 1 1 10 10 LYS HG2 H 1 0.063 0.030 . 2 . . . . 10 LYS HG2 . 10314 1 55 . 1 1 10 10 LYS HG3 H 1 0.964 0.030 . 2 . . . . 10 LYS HG3 . 10314 1 56 . 1 1 10 10 LYS C C 13 172.955 0.300 . 1 . . . . 10 LYS C . 10314 1 57 . 1 1 10 10 LYS CA C 13 56.905 0.300 . 1 . . . . 10 LYS CA . 10314 1 58 . 1 1 10 10 LYS CB C 13 36.226 0.300 . 1 . . . . 10 LYS CB . 10314 1 59 . 1 1 10 10 LYS CD C 13 28.941 0.300 . 1 . . . . 10 LYS CD . 10314 1 60 . 1 1 10 10 LYS CE C 13 40.277 0.300 . 1 . . . . 10 LYS CE . 10314 1 61 . 1 1 10 10 LYS CG C 13 25.169 0.300 . 1 . . . . 10 LYS CG . 10314 1 62 . 1 1 10 10 LYS N N 15 118.228 0.300 . 1 . . . . 10 LYS N . 10314 1 63 . 1 1 11 11 SER H H 1 8.198 0.030 . 1 . . . . 11 SER H . 10314 1 64 . 1 1 11 11 SER HA H 1 5.939 0.030 . 1 . . . . 11 SER HA . 10314 1 65 . 1 1 11 11 SER HB2 H 1 4.199 0.030 . 2 . . . . 11 SER HB2 . 10314 1 66 . 1 1 11 11 SER HB3 H 1 3.401 0.030 . 2 . . . . 11 SER HB3 . 10314 1 67 . 1 1 11 11 SER C C 13 173.639 0.300 . 1 . . . . 11 SER C . 10314 1 68 . 1 1 11 11 SER CA C 13 57.184 0.300 . 1 . . . . 11 SER CA . 10314 1 69 . 1 1 11 11 SER CB C 13 67.350 0.300 . 1 . . . . 11 SER CB . 10314 1 70 . 1 1 11 11 SER N N 15 119.496 0.300 . 1 . . . . 11 SER N . 10314 1 71 . 1 1 12 12 GLY H H 1 8.351 0.030 . 1 . . . . 12 GLY H . 10314 1 72 . 1 1 12 12 GLY HA2 H 1 4.231 0.030 . 2 . . . . 12 GLY HA2 . 10314 1 73 . 1 1 12 12 GLY HA3 H 1 2.884 0.030 . 2 . . . . 12 GLY HA3 . 10314 1 74 . 1 1 12 12 GLY C C 13 170.872 0.300 . 1 . . . . 12 GLY C . 10314 1 75 . 1 1 12 12 GLY CA C 13 45.121 0.300 . 1 . . . . 12 GLY CA . 10314 1 76 . 1 1 12 12 GLY N N 15 111.160 0.300 . 1 . . . . 12 GLY N . 10314 1 77 . 1 1 13 13 TRP H H 1 8.520 0.030 . 1 . . . . 13 TRP H . 10314 1 78 . 1 1 13 13 TRP HA H 1 5.552 0.030 . 1 . . . . 13 TRP HA . 10314 1 79 . 1 1 13 13 TRP HB2 H 1 3.287 0.030 . 2 . . . . 13 TRP HB2 . 10314 1 80 . 1 1 13 13 TRP HB3 H 1 3.203 0.030 . 2 . . . . 13 TRP HB3 . 10314 1 81 . 1 1 13 13 TRP HD1 H 1 7.690 0.030 . 1 . . . . 13 TRP HD1 . 10314 1 82 . 1 1 13 13 TRP HE1 H 1 10.551 0.030 . 1 . . . . 13 TRP HE1 . 10314 1 83 . 1 1 13 13 TRP HE3 H 1 7.833 0.030 . 1 . . . . 13 TRP HE3 . 10314 1 84 . 1 1 13 13 TRP HH2 H 1 7.528 0.030 . 1 . . . . 13 TRP HH2 . 10314 1 85 . 1 1 13 13 TRP HZ2 H 1 7.762 0.030 . 1 . . . . 13 TRP HZ2 . 10314 1 86 . 1 1 13 13 TRP HZ3 H 1 7.288 0.030 . 1 . . . . 13 TRP HZ3 . 10314 1 87 . 1 1 13 13 TRP C C 13 178.552 0.300 . 1 . . . . 13 TRP C . 10314 1 88 . 1 1 13 13 TRP CA C 13 56.537 0.300 . 1 . . . . 13 TRP CA . 10314 1 89 . 1 1 13 13 TRP CB C 13 31.704 0.300 . 1 . . . . 13 TRP CB . 10314 1 90 . 1 1 13 13 TRP CD1 C 13 129.057 0.300 . 1 . . . . 13 TRP CD1 . 10314 1 91 . 1 1 13 13 TRP CE3 C 13 121.295 0.300 . 1 . . . . 13 TRP CE3 . 10314 1 92 . 1 1 13 13 TRP CH2 C 13 124.315 0.300 . 1 . . . . 13 TRP CH2 . 10314 1 93 . 1 1 13 13 TRP CZ2 C 13 115.394 0.300 . 1 . . . . 13 TRP CZ2 . 10314 1 94 . 1 1 13 13 TRP CZ3 C 13 121.900 0.300 . 1 . . . . 13 TRP CZ3 . 10314 1 95 . 1 1 13 13 TRP N N 15 118.841 0.300 . 1 . . . . 13 TRP N . 10314 1 96 . 1 1 13 13 TRP NE1 N 15 129.997 0.300 . 1 . . . . 13 TRP NE1 . 10314 1 97 . 1 1 14 14 LEU H H 1 9.315 0.030 . 1 . . . . 14 LEU H . 10314 1 98 . 1 1 14 14 LEU HA H 1 4.527 0.030 . 1 . . . . 14 LEU HA . 10314 1 99 . 1 1 14 14 LEU HB2 H 1 1.181 0.030 . 2 . . . . 14 LEU HB2 . 10314 1 100 . 1 1 14 14 LEU HB3 H 1 0.682 0.030 . 2 . . . . 14 LEU HB3 . 10314 1 101 . 1 1 14 14 LEU HD11 H 1 -1.387 0.030 . 1 . . . . 14 LEU HD1 . 10314 1 102 . 1 1 14 14 LEU HD12 H 1 -1.387 0.030 . 1 . . . . 14 LEU HD1 . 10314 1 103 . 1 1 14 14 LEU HD13 H 1 -1.387 0.030 . 1 . . . . 14 LEU HD1 . 10314 1 104 . 1 1 14 14 LEU HD21 H 1 0.443 0.030 . 1 . . . . 14 LEU HD2 . 10314 1 105 . 1 1 14 14 LEU HD22 H 1 0.443 0.030 . 1 . . . . 14 LEU HD2 . 10314 1 106 . 1 1 14 14 LEU HD23 H 1 0.443 0.030 . 1 . . . . 14 LEU HD2 . 10314 1 107 . 1 1 14 14 LEU HG H 1 0.784 0.030 . 1 . . . . 14 LEU HG . 10314 1 108 . 1 1 14 14 LEU C C 13 176.192 0.300 . 1 . . . . 14 LEU C . 10314 1 109 . 1 1 14 14 LEU CA C 13 55.195 0.300 . 1 . . . . 14 LEU CA . 10314 1 110 . 1 1 14 14 LEU CB C 13 47.245 0.300 . 1 . . . . 14 LEU CB . 10314 1 111 . 1 1 14 14 LEU CD1 C 13 23.124 0.300 . 2 . . . . 14 LEU CD1 . 10314 1 112 . 1 1 14 14 LEU CD2 C 13 23.689 0.300 . 2 . . . . 14 LEU CD2 . 10314 1 113 . 1 1 14 14 LEU CG C 13 26.721 0.300 . 1 . . . . 14 LEU CG . 10314 1 114 . 1 1 14 14 LEU N N 15 122.003 0.300 . 1 . . . . 14 LEU N . 10314 1 115 . 1 1 15 15 LEU H H 1 7.692 0.030 . 1 . . . . 15 LEU H . 10314 1 116 . 1 1 15 15 LEU HA H 1 5.123 0.030 . 1 . . . . 15 LEU HA . 10314 1 117 . 1 1 15 15 LEU HB2 H 1 1.873 0.030 . 2 . . . . 15 LEU HB2 . 10314 1 118 . 1 1 15 15 LEU HB3 H 1 1.439 0.030 . 2 . . . . 15 LEU HB3 . 10314 1 119 . 1 1 15 15 LEU HD11 H 1 0.615 0.030 . 1 . . . . 15 LEU HD1 . 10314 1 120 . 1 1 15 15 LEU HD12 H 1 0.615 0.030 . 1 . . . . 15 LEU HD1 . 10314 1 121 . 1 1 15 15 LEU HD13 H 1 0.615 0.030 . 1 . . . . 15 LEU HD1 . 10314 1 122 . 1 1 15 15 LEU HD21 H 1 0.772 0.030 . 1 . . . . 15 LEU HD2 . 10314 1 123 . 1 1 15 15 LEU HD22 H 1 0.772 0.030 . 1 . . . . 15 LEU HD2 . 10314 1 124 . 1 1 15 15 LEU HD23 H 1 0.772 0.030 . 1 . . . . 15 LEU HD2 . 10314 1 125 . 1 1 15 15 LEU HG H 1 1.722 0.030 . 1 . . . . 15 LEU HG . 10314 1 126 . 1 1 15 15 LEU C C 13 175.975 0.300 . 1 . . . . 15 LEU C . 10314 1 127 . 1 1 15 15 LEU CA C 13 54.372 0.300 . 1 . . . . 15 LEU CA . 10314 1 128 . 1 1 15 15 LEU CB C 13 44.238 0.300 . 1 . . . . 15 LEU CB . 10314 1 129 . 1 1 15 15 LEU CD1 C 13 25.652 0.300 . 2 . . . . 15 LEU CD1 . 10314 1 130 . 1 1 15 15 LEU CD2 C 13 23.403 0.300 . 2 . . . . 15 LEU CD2 . 10314 1 131 . 1 1 15 15 LEU CG C 13 27.020 0.300 . 1 . . . . 15 LEU CG . 10314 1 132 . 1 1 15 15 LEU N N 15 118.910 0.300 . 1 . . . . 15 LEU N . 10314 1 133 . 1 1 16 16 ARG H H 1 9.758 0.030 . 1 . . . . 16 ARG H . 10314 1 134 . 1 1 16 16 ARG HA H 1 5.472 0.030 . 1 . . . . 16 ARG HA . 10314 1 135 . 1 1 16 16 ARG HB2 H 1 1.951 0.030 . 2 . . . . 16 ARG HB2 . 10314 1 136 . 1 1 16 16 ARG HB3 H 1 1.365 0.030 . 2 . . . . 16 ARG HB3 . 10314 1 137 . 1 1 16 16 ARG HD2 H 1 3.393 0.030 . 2 . . . . 16 ARG HD2 . 10314 1 138 . 1 1 16 16 ARG HD3 H 1 2.442 0.030 . 2 . . . . 16 ARG HD3 . 10314 1 139 . 1 1 16 16 ARG HE H 1 7.561 0.030 . 1 . . . . 16 ARG HE . 10314 1 140 . 1 1 16 16 ARG HG2 H 1 1.392 0.030 . 1 . . . . 16 ARG HG2 . 10314 1 141 . 1 1 16 16 ARG HG3 H 1 1.392 0.030 . 1 . . . . 16 ARG HG3 . 10314 1 142 . 1 1 16 16 ARG C C 13 175.112 0.300 . 1 . . . . 16 ARG C . 10314 1 143 . 1 1 16 16 ARG CA C 13 54.003 0.300 . 1 . . . . 16 ARG CA . 10314 1 144 . 1 1 16 16 ARG CB C 13 34.705 0.300 . 1 . . . . 16 ARG CB . 10314 1 145 . 1 1 16 16 ARG CD C 13 43.329 0.300 . 1 . . . . 16 ARG CD . 10314 1 146 . 1 1 16 16 ARG CG C 13 26.885 0.300 . 1 . . . . 16 ARG CG . 10314 1 147 . 1 1 16 16 ARG N N 15 123.762 0.300 . 1 . . . . 16 ARG N . 10314 1 148 . 1 1 16 16 ARG NE N 15 81.423 0.300 . 1 . . . . 16 ARG NE . 10314 1 149 . 1 1 17 17 GLN H H 1 7.980 0.030 . 1 . . . . 17 GLN H . 10314 1 150 . 1 1 17 17 GLN HA H 1 3.458 0.030 . 1 . . . . 17 GLN HA . 10314 1 151 . 1 1 17 17 GLN HB2 H 1 1.307 0.030 . 2 . . . . 17 GLN HB2 . 10314 1 152 . 1 1 17 17 GLN HB3 H 1 -0.488 0.030 . 2 . . . . 17 GLN HB3 . 10314 1 153 . 1 1 17 17 GLN HE21 H 1 6.531 0.030 . 2 . . . . 17 GLN HE21 . 10314 1 154 . 1 1 17 17 GLN HE22 H 1 6.092 0.030 . 2 . . . . 17 GLN HE22 . 10314 1 155 . 1 1 17 17 GLN HG2 H 1 0.850 0.030 . 2 . . . . 17 GLN HG2 . 10314 1 156 . 1 1 17 17 GLN HG3 H 1 1.281 0.030 . 2 . . . . 17 GLN HG3 . 10314 1 157 . 1 1 17 17 GLN C C 13 175.058 0.300 . 1 . . . . 17 GLN C . 10314 1 158 . 1 1 17 17 GLN CA C 13 56.093 0.300 . 1 . . . . 17 GLN CA . 10314 1 159 . 1 1 17 17 GLN CB C 13 28.076 0.300 . 1 . . . . 17 GLN CB . 10314 1 160 . 1 1 17 17 GLN CG C 13 33.943 0.300 . 1 . . . . 17 GLN CG . 10314 1 161 . 1 1 17 17 GLN N N 15 129.768 0.300 . 1 . . . . 17 GLN N . 10314 1 162 . 1 1 17 17 GLN NE2 N 15 108.819 0.300 . 1 . . . . 17 GLN NE2 . 10314 1 163 . 1 1 18 18 SER H H 1 8.576 0.030 . 1 . . . . 18 SER H . 10314 1 164 . 1 1 18 18 SER HA H 1 4.687 0.030 . 1 . . . . 18 SER HA . 10314 1 165 . 1 1 18 18 SER HB2 H 1 3.925 0.030 . 1 . . . . 18 SER HB2 . 10314 1 166 . 1 1 18 18 SER HB3 H 1 3.925 0.030 . 1 . . . . 18 SER HB3 . 10314 1 167 . 1 1 18 18 SER C C 13 175.822 0.300 . 1 . . . . 18 SER C . 10314 1 168 . 1 1 18 18 SER CA C 13 56.747 0.300 . 1 . . . . 18 SER CA . 10314 1 169 . 1 1 18 18 SER CB C 13 63.706 0.300 . 1 . . . . 18 SER CB . 10314 1 170 . 1 1 18 18 SER N N 15 123.073 0.300 . 1 . . . . 18 SER N . 10314 1 171 . 1 1 19 19 THR HA H 1 4.052 0.030 . 1 . . . . 19 THR HA . 10314 1 172 . 1 1 19 19 THR HB H 1 4.291 0.030 . 1 . . . . 19 THR HB . 10314 1 173 . 1 1 19 19 THR HG21 H 1 1.271 0.030 . 1 . . . . 19 THR HG2 . 10314 1 174 . 1 1 19 19 THR HG22 H 1 1.271 0.030 . 1 . . . . 19 THR HG2 . 10314 1 175 . 1 1 19 19 THR HG23 H 1 1.271 0.030 . 1 . . . . 19 THR HG2 . 10314 1 176 . 1 1 19 19 THR C C 13 175.792 0.300 . 1 . . . . 19 THR C . 10314 1 177 . 1 1 19 19 THR CA C 13 64.768 0.300 . 1 . . . . 19 THR CA . 10314 1 178 . 1 1 19 19 THR CB C 13 68.923 0.300 . 1 . . . . 19 THR CB . 10314 1 179 . 1 1 19 19 THR CG2 C 13 22.184 0.300 . 1 . . . . 19 THR CG2 . 10314 1 180 . 1 1 20 20 ILE H H 1 7.829 0.030 . 1 . . . . 20 ILE H . 10314 1 181 . 1 1 20 20 ILE HA H 1 4.022 0.030 . 1 . . . . 20 ILE HA . 10314 1 182 . 1 1 20 20 ILE HB H 1 1.810 0.030 . 1 . . . . 20 ILE HB . 10314 1 183 . 1 1 20 20 ILE HD11 H 1 0.877 0.030 . 1 . . . . 20 ILE HD1 . 10314 1 184 . 1 1 20 20 ILE HD12 H 1 0.877 0.030 . 1 . . . . 20 ILE HD1 . 10314 1 185 . 1 1 20 20 ILE HD13 H 1 0.877 0.030 . 1 . . . . 20 ILE HD1 . 10314 1 186 . 1 1 20 20 ILE HG12 H 1 1.529 0.030 . 2 . . . . 20 ILE HG12 . 10314 1 187 . 1 1 20 20 ILE HG13 H 1 1.222 0.030 . 2 . . . . 20 ILE HG13 . 10314 1 188 . 1 1 20 20 ILE HG21 H 1 0.903 0.030 . 1 . . . . 20 ILE HG2 . 10314 1 189 . 1 1 20 20 ILE HG22 H 1 0.903 0.030 . 1 . . . . 20 ILE HG2 . 10314 1 190 . 1 1 20 20 ILE HG23 H 1 0.903 0.030 . 1 . . . . 20 ILE HG2 . 10314 1 191 . 1 1 20 20 ILE C C 13 177.099 0.300 . 1 . . . . 20 ILE C . 10314 1 192 . 1 1 20 20 ILE CA C 13 62.979 0.300 . 1 . . . . 20 ILE CA . 10314 1 193 . 1 1 20 20 ILE CB C 13 38.160 0.300 . 1 . . . . 20 ILE CB . 10314 1 194 . 1 1 20 20 ILE CD1 C 13 12.529 0.300 . 1 . . . . 20 ILE CD1 . 10314 1 195 . 1 1 20 20 ILE CG1 C 13 28.007 0.300 . 1 . . . . 20 ILE CG1 . 10314 1 196 . 1 1 20 20 ILE CG2 C 13 17.345 0.300 . 1 . . . . 20 ILE CG2 . 10314 1 197 . 1 1 20 20 ILE N N 15 120.448 0.300 . 1 . . . . 20 ILE N . 10314 1 198 . 1 1 21 21 LEU H H 1 7.812 0.030 . 1 . . . . 21 LEU H . 10314 1 199 . 1 1 21 21 LEU HA H 1 4.213 0.030 . 1 . . . . 21 LEU HA . 10314 1 200 . 1 1 21 21 LEU HB2 H 1 1.553 0.030 . 1 . . . . 21 LEU HB2 . 10314 1 201 . 1 1 21 21 LEU HB3 H 1 1.553 0.030 . 1 . . . . 21 LEU HB3 . 10314 1 202 . 1 1 21 21 LEU HD11 H 1 0.919 0.030 . 1 . . . . 21 LEU HD1 . 10314 1 203 . 1 1 21 21 LEU HD12 H 1 0.919 0.030 . 1 . . . . 21 LEU HD1 . 10314 1 204 . 1 1 21 21 LEU HD13 H 1 0.919 0.030 . 1 . . . . 21 LEU HD1 . 10314 1 205 . 1 1 21 21 LEU HD21 H 1 0.863 0.030 . 1 . . . . 21 LEU HD2 . 10314 1 206 . 1 1 21 21 LEU HD22 H 1 0.863 0.030 . 1 . . . . 21 LEU HD2 . 10314 1 207 . 1 1 21 21 LEU HD23 H 1 0.863 0.030 . 1 . . . . 21 LEU HD2 . 10314 1 208 . 1 1 21 21 LEU HG H 1 1.630 0.030 . 1 . . . . 21 LEU HG . 10314 1 209 . 1 1 21 21 LEU C C 13 176.540 0.300 . 1 . . . . 21 LEU C . 10314 1 210 . 1 1 21 21 LEU CA C 13 55.094 0.300 . 1 . . . . 21 LEU CA . 10314 1 211 . 1 1 21 21 LEU CB C 13 42.454 0.300 . 1 . . . . 21 LEU CB . 10314 1 212 . 1 1 21 21 LEU CD1 C 13 25.260 0.300 . 2 . . . . 21 LEU CD1 . 10314 1 213 . 1 1 21 21 LEU CD2 C 13 22.338 0.300 . 2 . . . . 21 LEU CD2 . 10314 1 214 . 1 1 21 21 LEU CG C 13 27.050 0.300 . 1 . . . . 21 LEU CG . 10314 1 215 . 1 1 21 21 LEU N N 15 118.700 0.300 . 1 . . . . 21 LEU N . 10314 1 216 . 1 1 22 22 LYS H H 1 7.747 0.030 . 1 . . . . 22 LYS H . 10314 1 217 . 1 1 22 22 LYS HA H 1 3.807 0.030 . 1 . . . . 22 LYS HA . 10314 1 218 . 1 1 22 22 LYS HB2 H 1 1.992 0.030 . 2 . . . . 22 LYS HB2 . 10314 1 219 . 1 1 22 22 LYS HB3 H 1 1.791 0.030 . 2 . . . . 22 LYS HB3 . 10314 1 220 . 1 1 22 22 LYS HD2 H 1 1.653 0.030 . 2 . . . . 22 LYS HD2 . 10314 1 221 . 1 1 22 22 LYS HD3 H 1 1.584 0.030 . 2 . . . . 22 LYS HD3 . 10314 1 222 . 1 1 22 22 LYS HE2 H 1 2.992 0.030 . 1 . . . . 22 LYS HE2 . 10314 1 223 . 1 1 22 22 LYS HE3 H 1 2.992 0.030 . 1 . . . . 22 LYS HE3 . 10314 1 224 . 1 1 22 22 LYS HG2 H 1 1.269 0.030 . 1 . . . . 22 LYS HG2 . 10314 1 225 . 1 1 22 22 LYS HG3 H 1 1.269 0.030 . 1 . . . . 22 LYS HG3 . 10314 1 226 . 1 1 22 22 LYS C C 13 175.386 0.300 . 1 . . . . 22 LYS C . 10314 1 227 . 1 1 22 22 LYS CA C 13 56.875 0.300 . 1 . . . . 22 LYS CA . 10314 1 228 . 1 1 22 22 LYS CB C 13 29.230 0.300 . 1 . . . . 22 LYS CB . 10314 1 229 . 1 1 22 22 LYS CD C 13 29.209 0.300 . 1 . . . . 22 LYS CD . 10314 1 230 . 1 1 22 22 LYS CE C 13 42.425 0.300 . 1 . . . . 22 LYS CE . 10314 1 231 . 1 1 22 22 LYS CG C 13 24.980 0.300 . 1 . . . . 22 LYS CG . 10314 1 232 . 1 1 22 22 LYS N N 15 115.397 0.300 . 1 . . . . 22 LYS N . 10314 1 233 . 1 1 23 23 ARG H H 1 7.351 0.030 . 1 . . . . 23 ARG H . 10314 1 234 . 1 1 23 23 ARG HA H 1 4.652 0.030 . 1 . . . . 23 ARG HA . 10314 1 235 . 1 1 23 23 ARG HB2 H 1 1.936 0.030 . 2 . . . . 23 ARG HB2 . 10314 1 236 . 1 1 23 23 ARG HB3 H 1 1.723 0.030 . 2 . . . . 23 ARG HB3 . 10314 1 237 . 1 1 23 23 ARG HD2 H 1 3.215 0.030 . 1 . . . . 23 ARG HD2 . 10314 1 238 . 1 1 23 23 ARG HD3 H 1 3.215 0.030 . 1 . . . . 23 ARG HD3 . 10314 1 239 . 1 1 23 23 ARG HG2 H 1 1.499 0.030 . 2 . . . . 23 ARG HG2 . 10314 1 240 . 1 1 23 23 ARG HG3 H 1 1.547 0.030 . 2 . . . . 23 ARG HG3 . 10314 1 241 . 1 1 23 23 ARG C C 13 175.266 0.300 . 1 . . . . 23 ARG C . 10314 1 242 . 1 1 23 23 ARG CA C 13 54.566 0.300 . 1 . . . . 23 ARG CA . 10314 1 243 . 1 1 23 23 ARG CB C 13 32.691 0.300 . 1 . . . . 23 ARG CB . 10314 1 244 . 1 1 23 23 ARG CD C 13 43.606 0.300 . 1 . . . . 23 ARG CD . 10314 1 245 . 1 1 23 23 ARG CG C 13 26.492 0.300 . 1 . . . . 23 ARG CG . 10314 1 246 . 1 1 23 23 ARG N N 15 115.014 0.300 . 1 . . . . 23 ARG N . 10314 1 247 . 1 1 24 24 TRP H H 1 8.909 0.030 . 1 . . . . 24 TRP H . 10314 1 248 . 1 1 24 24 TRP HA H 1 4.808 0.030 . 1 . . . . 24 TRP HA . 10314 1 249 . 1 1 24 24 TRP HB2 H 1 3.140 0.030 . 2 . . . . 24 TRP HB2 . 10314 1 250 . 1 1 24 24 TRP HB3 H 1 2.922 0.030 . 2 . . . . 24 TRP HB3 . 10314 1 251 . 1 1 24 24 TRP HD1 H 1 7.404 0.030 . 1 . . . . 24 TRP HD1 . 10314 1 252 . 1 1 24 24 TRP HE1 H 1 10.146 0.030 . 1 . . . . 24 TRP HE1 . 10314 1 253 . 1 1 24 24 TRP HE3 H 1 7.022 0.030 . 1 . . . . 24 TRP HE3 . 10314 1 254 . 1 1 24 24 TRP HH2 H 1 6.591 0.030 . 1 . . . . 24 TRP HH2 . 10314 1 255 . 1 1 24 24 TRP HZ2 H 1 7.423 0.030 . 1 . . . . 24 TRP HZ2 . 10314 1 256 . 1 1 24 24 TRP HZ3 H 1 6.644 0.030 . 1 . . . . 24 TRP HZ3 . 10314 1 257 . 1 1 24 24 TRP C C 13 175.978 0.300 . 1 . . . . 24 TRP C . 10314 1 258 . 1 1 24 24 TRP CA C 13 56.988 0.300 . 1 . . . . 24 TRP CA . 10314 1 259 . 1 1 24 24 TRP CB C 13 29.807 0.300 . 1 . . . . 24 TRP CB . 10314 1 260 . 1 1 24 24 TRP CD1 C 13 127.900 0.300 . 1 . . . . 24 TRP CD1 . 10314 1 261 . 1 1 24 24 TRP CE3 C 13 119.948 0.300 . 1 . . . . 24 TRP CE3 . 10314 1 262 . 1 1 24 24 TRP CH2 C 13 122.868 0.300 . 1 . . . . 24 TRP CH2 . 10314 1 263 . 1 1 24 24 TRP CZ2 C 13 114.956 0.300 . 1 . . . . 24 TRP CZ2 . 10314 1 264 . 1 1 24 24 TRP CZ3 C 13 122.868 0.300 . 1 . . . . 24 TRP CZ3 . 10314 1 265 . 1 1 24 24 TRP N N 15 123.215 0.300 . 1 . . . . 24 TRP N . 10314 1 266 . 1 1 24 24 TRP NE1 N 15 130.321 0.300 . 1 . . . . 24 TRP NE1 . 10314 1 267 . 1 1 25 25 LYS H H 1 9.313 0.030 . 1 . . . . 25 LYS H . 10314 1 268 . 1 1 25 25 LYS HA H 1 4.817 0.030 . 1 . . . . 25 LYS HA . 10314 1 269 . 1 1 25 25 LYS HB2 H 1 1.886 0.030 . 2 . . . . 25 LYS HB2 . 10314 1 270 . 1 1 25 25 LYS HB3 H 1 1.761 0.030 . 2 . . . . 25 LYS HB3 . 10314 1 271 . 1 1 25 25 LYS HD2 H 1 1.770 0.030 . 2 . . . . 25 LYS HD2 . 10314 1 272 . 1 1 25 25 LYS HD3 H 1 1.695 0.030 . 2 . . . . 25 LYS HD3 . 10314 1 273 . 1 1 25 25 LYS HE2 H 1 3.090 0.030 . 1 . . . . 25 LYS HE2 . 10314 1 274 . 1 1 25 25 LYS HE3 H 1 3.090 0.030 . 1 . . . . 25 LYS HE3 . 10314 1 275 . 1 1 25 25 LYS HG2 H 1 1.511 0.030 . 1 . . . . 25 LYS HG2 . 10314 1 276 . 1 1 25 25 LYS HG3 H 1 1.511 0.030 . 1 . . . . 25 LYS HG3 . 10314 1 277 . 1 1 25 25 LYS C C 13 174.963 0.300 . 1 . . . . 25 LYS C . 10314 1 278 . 1 1 25 25 LYS CA C 13 54.654 0.300 . 1 . . . . 25 LYS CA . 10314 1 279 . 1 1 25 25 LYS CB C 13 35.939 0.300 . 1 . . . . 25 LYS CB . 10314 1 280 . 1 1 25 25 LYS CD C 13 29.634 0.300 . 1 . . . . 25 LYS CD . 10314 1 281 . 1 1 25 25 LYS CE C 13 42.014 0.300 . 1 . . . . 25 LYS CE . 10314 1 282 . 1 1 25 25 LYS CG C 13 24.479 0.300 . 1 . . . . 25 LYS CG . 10314 1 283 . 1 1 25 25 LYS N N 15 124.677 0.300 . 1 . . . . 25 LYS N . 10314 1 284 . 1 1 26 26 LYS H H 1 9.016 0.030 . 1 . . . . 26 LYS H . 10314 1 285 . 1 1 26 26 LYS HA H 1 4.763 0.030 . 1 . . . . 26 LYS HA . 10314 1 286 . 1 1 26 26 LYS HB2 H 1 1.953 0.030 . 2 . . . . 26 LYS HB2 . 10314 1 287 . 1 1 26 26 LYS HB3 H 1 1.714 0.030 . 2 . . . . 26 LYS HB3 . 10314 1 288 . 1 1 26 26 LYS HD2 H 1 1.223 0.030 . 1 . . . . 26 LYS HD2 . 10314 1 289 . 1 1 26 26 LYS HD3 H 1 1.223 0.030 . 1 . . . . 26 LYS HD3 . 10314 1 290 . 1 1 26 26 LYS HE2 H 1 2.224 0.030 . 2 . . . . 26 LYS HE2 . 10314 1 291 . 1 1 26 26 LYS HE3 H 1 2.075 0.030 . 2 . . . . 26 LYS HE3 . 10314 1 292 . 1 1 26 26 LYS HG2 H 1 1.440 0.030 . 1 . . . . 26 LYS HG2 . 10314 1 293 . 1 1 26 26 LYS HG3 H 1 1.440 0.030 . 1 . . . . 26 LYS HG3 . 10314 1 294 . 1 1 26 26 LYS C C 13 175.926 0.300 . 1 . . . . 26 LYS C . 10314 1 295 . 1 1 26 26 LYS CA C 13 57.516 0.300 . 1 . . . . 26 LYS CA . 10314 1 296 . 1 1 26 26 LYS CB C 13 33.094 0.300 . 1 . . . . 26 LYS CB . 10314 1 297 . 1 1 26 26 LYS CD C 13 29.485 0.300 . 1 . . . . 26 LYS CD . 10314 1 298 . 1 1 26 26 LYS CE C 13 40.945 0.300 . 1 . . . . 26 LYS CE . 10314 1 299 . 1 1 26 26 LYS CG C 13 25.575 0.300 . 1 . . . . 26 LYS CG . 10314 1 300 . 1 1 26 26 LYS N N 15 126.096 0.300 . 1 . . . . 26 LYS N . 10314 1 301 . 1 1 27 27 ASN H H 1 9.432 0.030 . 1 . . . . 27 ASN H . 10314 1 302 . 1 1 27 27 ASN HA H 1 5.632 0.030 . 1 . . . . 27 ASN HA . 10314 1 303 . 1 1 27 27 ASN HB2 H 1 2.832 0.030 . 2 . . . . 27 ASN HB2 . 10314 1 304 . 1 1 27 27 ASN HB3 H 1 2.592 0.030 . 2 . . . . 27 ASN HB3 . 10314 1 305 . 1 1 27 27 ASN HD21 H 1 8.213 0.030 . 2 . . . . 27 ASN HD21 . 10314 1 306 . 1 1 27 27 ASN HD22 H 1 7.911 0.030 . 2 . . . . 27 ASN HD22 . 10314 1 307 . 1 1 27 27 ASN C C 13 171.975 0.300 . 1 . . . . 27 ASN C . 10314 1 308 . 1 1 27 27 ASN CA C 13 52.659 0.300 . 1 . . . . 27 ASN CA . 10314 1 309 . 1 1 27 27 ASN CB C 13 46.454 0.300 . 1 . . . . 27 ASN CB . 10314 1 310 . 1 1 27 27 ASN N N 15 125.893 0.300 . 1 . . . . 27 ASN N . 10314 1 311 . 1 1 27 27 ASN ND2 N 15 110.827 0.300 . 1 . . . . 27 ASN ND2 . 10314 1 312 . 1 1 28 28 TRP H H 1 8.468 0.030 . 1 . . . . 28 TRP H . 10314 1 313 . 1 1 28 28 TRP HA H 1 4.492 0.030 . 1 . . . . 28 TRP HA . 10314 1 314 . 1 1 28 28 TRP HB2 H 1 2.593 0.030 . 2 . . . . 28 TRP HB2 . 10314 1 315 . 1 1 28 28 TRP HB3 H 1 1.963 0.030 . 2 . . . . 28 TRP HB3 . 10314 1 316 . 1 1 28 28 TRP HD1 H 1 6.665 0.030 . 1 . . . . 28 TRP HD1 . 10314 1 317 . 1 1 28 28 TRP HE1 H 1 9.691 0.030 . 1 . . . . 28 TRP HE1 . 10314 1 318 . 1 1 28 28 TRP HE3 H 1 5.164 0.030 . 1 . . . . 28 TRP HE3 . 10314 1 319 . 1 1 28 28 TRP HH2 H 1 7.035 0.030 . 1 . . . . 28 TRP HH2 . 10314 1 320 . 1 1 28 28 TRP HZ2 H 1 7.234 0.030 . 1 . . . . 28 TRP HZ2 . 10314 1 321 . 1 1 28 28 TRP HZ3 H 1 6.462 0.030 . 1 . . . . 28 TRP HZ3 . 10314 1 322 . 1 1 28 28 TRP C C 13 174.523 0.300 . 1 . . . . 28 TRP C . 10314 1 323 . 1 1 28 28 TRP CA C 13 56.601 0.300 . 1 . . . . 28 TRP CA . 10314 1 324 . 1 1 28 28 TRP CB C 13 29.971 0.300 . 1 . . . . 28 TRP CB . 10314 1 325 . 1 1 28 28 TRP CD1 C 13 126.681 0.300 . 1 . . . . 28 TRP CD1 . 10314 1 326 . 1 1 28 28 TRP CE3 C 13 119.841 0.300 . 1 . . . . 28 TRP CE3 . 10314 1 327 . 1 1 28 28 TRP CH2 C 13 123.792 0.300 . 1 . . . . 28 TRP CH2 . 10314 1 328 . 1 1 28 28 TRP CZ2 C 13 114.181 0.300 . 1 . . . . 28 TRP CZ2 . 10314 1 329 . 1 1 28 28 TRP CZ3 C 13 121.624 0.300 . 1 . . . . 28 TRP CZ3 . 10314 1 330 . 1 1 28 28 TRP N N 15 122.000 0.300 . 1 . . . . 28 TRP N . 10314 1 331 . 1 1 28 28 TRP NE1 N 15 128.914 0.300 . 1 . . . . 28 TRP NE1 . 10314 1 332 . 1 1 29 29 PHE H H 1 8.432 0.030 . 1 . . . . 29 PHE H . 10314 1 333 . 1 1 29 29 PHE HA H 1 5.001 0.030 . 1 . . . . 29 PHE HA . 10314 1 334 . 1 1 29 29 PHE HB2 H 1 2.864 0.030 . 2 . . . . 29 PHE HB2 . 10314 1 335 . 1 1 29 29 PHE HB3 H 1 2.292 0.030 . 2 . . . . 29 PHE HB3 . 10314 1 336 . 1 1 29 29 PHE HD1 H 1 6.924 0.030 . 1 . . . . 29 PHE HD1 . 10314 1 337 . 1 1 29 29 PHE HD2 H 1 6.924 0.030 . 1 . . . . 29 PHE HD2 . 10314 1 338 . 1 1 29 29 PHE HE1 H 1 6.540 0.030 . 1 . . . . 29 PHE HE1 . 10314 1 339 . 1 1 29 29 PHE HE2 H 1 6.540 0.030 . 1 . . . . 29 PHE HE2 . 10314 1 340 . 1 1 29 29 PHE HZ H 1 6.132 0.030 . 1 . . . . 29 PHE HZ . 10314 1 341 . 1 1 29 29 PHE C C 13 174.475 0.300 . 1 . . . . 29 PHE C . 10314 1 342 . 1 1 29 29 PHE CA C 13 56.708 0.300 . 1 . . . . 29 PHE CA . 10314 1 343 . 1 1 29 29 PHE CB C 13 42.269 0.300 . 1 . . . . 29 PHE CB . 10314 1 344 . 1 1 29 29 PHE CD1 C 13 131.290 0.300 . 1 . . . . 29 PHE CD1 . 10314 1 345 . 1 1 29 29 PHE CD2 C 13 131.290 0.300 . 1 . . . . 29 PHE CD2 . 10314 1 346 . 1 1 29 29 PHE CE1 C 13 131.136 0.300 . 1 . . . . 29 PHE CE1 . 10314 1 347 . 1 1 29 29 PHE CE2 C 13 131.136 0.300 . 1 . . . . 29 PHE CE2 . 10314 1 348 . 1 1 29 29 PHE CZ C 13 128.616 0.300 . 1 . . . . 29 PHE CZ . 10314 1 349 . 1 1 29 29 PHE N N 15 127.562 0.300 . 1 . . . . 29 PHE N . 10314 1 350 . 1 1 30 30 ASP H H 1 9.204 0.030 . 1 . . . . 30 ASP H . 10314 1 351 . 1 1 30 30 ASP HA H 1 5.424 0.030 . 1 . . . . 30 ASP HA . 10314 1 352 . 1 1 30 30 ASP HB2 H 1 2.832 0.030 . 2 . . . . 30 ASP HB2 . 10314 1 353 . 1 1 30 30 ASP HB3 H 1 2.229 0.030 . 2 . . . . 30 ASP HB3 . 10314 1 354 . 1 1 30 30 ASP C C 13 173.948 0.300 . 1 . . . . 30 ASP C . 10314 1 355 . 1 1 30 30 ASP CA C 13 53.993 0.300 . 1 . . . . 30 ASP CA . 10314 1 356 . 1 1 30 30 ASP CB C 13 45.928 0.300 . 1 . . . . 30 ASP CB . 10314 1 357 . 1 1 30 30 ASP N N 15 116.877 0.300 . 1 . . . . 30 ASP N . 10314 1 358 . 1 1 31 31 LEU H H 1 9.322 0.030 . 1 . . . . 31 LEU H . 10314 1 359 . 1 1 31 31 LEU HA H 1 5.618 0.030 . 1 . . . . 31 LEU HA . 10314 1 360 . 1 1 31 31 LEU HB2 H 1 2.282 0.030 . 2 . . . . 31 LEU HB2 . 10314 1 361 . 1 1 31 31 LEU HB3 H 1 1.509 0.030 . 2 . . . . 31 LEU HB3 . 10314 1 362 . 1 1 31 31 LEU HD11 H 1 1.133 0.030 . 1 . . . . 31 LEU HD1 . 10314 1 363 . 1 1 31 31 LEU HD12 H 1 1.133 0.030 . 1 . . . . 31 LEU HD1 . 10314 1 364 . 1 1 31 31 LEU HD13 H 1 1.133 0.030 . 1 . . . . 31 LEU HD1 . 10314 1 365 . 1 1 31 31 LEU HD21 H 1 0.990 0.030 . 1 . . . . 31 LEU HD2 . 10314 1 366 . 1 1 31 31 LEU HD22 H 1 0.990 0.030 . 1 . . . . 31 LEU HD2 . 10314 1 367 . 1 1 31 31 LEU HD23 H 1 0.990 0.030 . 1 . . . . 31 LEU HD2 . 10314 1 368 . 1 1 31 31 LEU HG H 1 1.692 0.030 . 1 . . . . 31 LEU HG . 10314 1 369 . 1 1 31 31 LEU C C 13 176.047 0.300 . 1 . . . . 31 LEU C . 10314 1 370 . 1 1 31 31 LEU CA C 13 53.408 0.300 . 1 . . . . 31 LEU CA . 10314 1 371 . 1 1 31 31 LEU CB C 13 44.598 0.300 . 1 . . . . 31 LEU CB . 10314 1 372 . 1 1 31 31 LEU CD1 C 13 22.481 0.300 . 2 . . . . 31 LEU CD1 . 10314 1 373 . 1 1 31 31 LEU CD2 C 13 27.801 0.300 . 2 . . . . 31 LEU CD2 . 10314 1 374 . 1 1 31 31 LEU CG C 13 27.838 0.300 . 1 . . . . 31 LEU CG . 10314 1 375 . 1 1 31 31 LEU N N 15 123.255 0.300 . 1 . . . . 31 LEU N . 10314 1 376 . 1 1 32 32 TRP H H 1 10.091 0.030 . 1 . . . . 32 TRP H . 10314 1 377 . 1 1 32 32 TRP HA H 1 5.442 0.030 . 1 . . . . 32 TRP HA . 10314 1 378 . 1 1 32 32 TRP HB2 H 1 3.931 0.030 . 2 . . . . 32 TRP HB2 . 10314 1 379 . 1 1 32 32 TRP HB3 H 1 3.877 0.030 . 2 . . . . 32 TRP HB3 . 10314 1 380 . 1 1 32 32 TRP HD1 H 1 7.061 0.030 . 1 . . . . 32 TRP HD1 . 10314 1 381 . 1 1 32 32 TRP HE1 H 1 10.438 0.030 . 1 . . . . 32 TRP HE1 . 10314 1 382 . 1 1 32 32 TRP HE3 H 1 8.022 0.030 . 1 . . . . 32 TRP HE3 . 10314 1 383 . 1 1 32 32 TRP HH2 H 1 7.133 0.030 . 1 . . . . 32 TRP HH2 . 10314 1 384 . 1 1 32 32 TRP HZ2 H 1 7.502 0.030 . 1 . . . . 32 TRP HZ2 . 10314 1 385 . 1 1 32 32 TRP HZ3 H 1 6.978 0.030 . 1 . . . . 32 TRP HZ3 . 10314 1 386 . 1 1 32 32 TRP C C 13 179.405 0.300 . 1 . . . . 32 TRP C . 10314 1 387 . 1 1 32 32 TRP CA C 13 56.504 0.300 . 1 . . . . 32 TRP CA . 10314 1 388 . 1 1 32 32 TRP CB C 13 32.249 0.300 . 1 . . . . 32 TRP CB . 10314 1 389 . 1 1 32 32 TRP CD1 C 13 123.728 0.300 . 1 . . . . 32 TRP CD1 . 10314 1 390 . 1 1 32 32 TRP CE3 C 13 121.486 0.300 . 1 . . . . 32 TRP CE3 . 10314 1 391 . 1 1 32 32 TRP CH2 C 13 124.523 0.300 . 1 . . . . 32 TRP CH2 . 10314 1 392 . 1 1 32 32 TRP CZ2 C 13 114.623 0.300 . 1 . . . . 32 TRP CZ2 . 10314 1 393 . 1 1 32 32 TRP CZ3 C 13 121.501 0.300 . 1 . . . . 32 TRP CZ3 . 10314 1 394 . 1 1 32 32 TRP N N 15 129.236 0.300 . 1 . . . . 32 TRP N . 10314 1 395 . 1 1 32 32 TRP NE1 N 15 129.462 0.300 . 1 . . . . 32 TRP NE1 . 10314 1 396 . 1 1 33 33 SER H H 1 9.544 0.030 . 1 . . . . 33 SER H . 10314 1 397 . 1 1 33 33 SER HA H 1 4.191 0.030 . 1 . . . . 33 SER HA . 10314 1 398 . 1 1 33 33 SER HB2 H 1 3.963 0.030 . 2 . . . . 33 SER HB2 . 10314 1 399 . 1 1 33 33 SER HB3 H 1 4.122 0.030 . 2 . . . . 33 SER HB3 . 10314 1 400 . 1 1 33 33 SER CA C 13 61.426 0.300 . 1 . . . . 33 SER CA . 10314 1 401 . 1 1 33 33 SER CB C 13 62.968 0.300 . 1 . . . . 33 SER CB . 10314 1 402 . 1 1 33 33 SER N N 15 118.338 0.300 . 1 . . . . 33 SER N . 10314 1 403 . 1 1 34 34 ASP H H 1 7.984 0.030 . 1 . . . . 34 ASP H . 10314 1 404 . 1 1 34 34 ASP HA H 1 4.831 0.030 . 1 . . . . 34 ASP HA . 10314 1 405 . 1 1 34 34 ASP HB2 H 1 3.361 0.030 . 2 . . . . 34 ASP HB2 . 10314 1 406 . 1 1 34 34 ASP HB3 H 1 2.871 0.030 . 2 . . . . 34 ASP HB3 . 10314 1 407 . 1 1 34 34 ASP C C 13 177.185 0.300 . 1 . . . . 34 ASP C . 10314 1 408 . 1 1 34 34 ASP CA C 13 53.476 0.300 . 1 . . . . 34 ASP CA . 10314 1 409 . 1 1 34 34 ASP CB C 13 40.431 0.300 . 1 . . . . 34 ASP CB . 10314 1 410 . 1 1 34 34 ASP N N 15 118.801 0.300 . 1 . . . . 34 ASP N . 10314 1 411 . 1 1 35 35 GLY H H 1 8.114 0.030 . 1 . . . . 35 GLY H . 10314 1 412 . 1 1 35 35 GLY HA2 H 1 4.240 0.030 . 2 . . . . 35 GLY HA2 . 10314 1 413 . 1 1 35 35 GLY HA3 H 1 3.758 0.030 . 2 . . . . 35 GLY HA3 . 10314 1 414 . 1 1 35 35 GLY C C 13 174.790 0.300 . 1 . . . . 35 GLY C . 10314 1 415 . 1 1 35 35 GLY CA C 13 45.349 0.300 . 1 . . . . 35 GLY CA . 10314 1 416 . 1 1 35 35 GLY N N 15 105.884 0.300 . 1 . . . . 35 GLY N . 10314 1 417 . 1 1 36 36 HIS H H 1 8.285 0.030 . 1 . . . . 36 HIS H . 10314 1 418 . 1 1 36 36 HIS HA H 1 4.997 0.030 . 1 . . . . 36 HIS HA . 10314 1 419 . 1 1 36 36 HIS HB2 H 1 2.954 0.030 . 2 . . . . 36 HIS HB2 . 10314 1 420 . 1 1 36 36 HIS HB3 H 1 2.323 0.030 . 2 . . . . 36 HIS HB3 . 10314 1 421 . 1 1 36 36 HIS HD2 H 1 6.475 0.030 . 1 . . . . 36 HIS HD2 . 10314 1 422 . 1 1 36 36 HIS HE1 H 1 7.473 0.030 . 1 . . . . 36 HIS HE1 . 10314 1 423 . 1 1 36 36 HIS C C 13 172.581 0.300 . 1 . . . . 36 HIS C . 10314 1 424 . 1 1 36 36 HIS CA C 13 60.252 0.300 . 1 . . . . 36 HIS CA . 10314 1 425 . 1 1 36 36 HIS CB C 13 28.358 0.300 . 1 . . . . 36 HIS CB . 10314 1 426 . 1 1 36 36 HIS CD2 C 13 122.684 0.300 . 1 . . . . 36 HIS CD2 . 10314 1 427 . 1 1 36 36 HIS CE1 C 13 137.326 0.300 . 1 . . . . 36 HIS CE1 . 10314 1 428 . 1 1 36 36 HIS N N 15 118.557 0.300 . 1 . . . . 36 HIS N . 10314 1 429 . 1 1 37 37 LEU H H 1 9.423 0.030 . 1 . . . . 37 LEU H . 10314 1 430 . 1 1 37 37 LEU HA H 1 5.410 0.030 . 1 . . . . 37 LEU HA . 10314 1 431 . 1 1 37 37 LEU HB2 H 1 2.231 0.030 . 2 . . . . 37 LEU HB2 . 10314 1 432 . 1 1 37 37 LEU HB3 H 1 1.272 0.030 . 2 . . . . 37 LEU HB3 . 10314 1 433 . 1 1 37 37 LEU HD11 H 1 1.172 0.030 . 1 . . . . 37 LEU HD1 . 10314 1 434 . 1 1 37 37 LEU HD12 H 1 1.172 0.030 . 1 . . . . 37 LEU HD1 . 10314 1 435 . 1 1 37 37 LEU HD13 H 1 1.172 0.030 . 1 . . . . 37 LEU HD1 . 10314 1 436 . 1 1 37 37 LEU HD21 H 1 0.846 0.030 . 1 . . . . 37 LEU HD2 . 10314 1 437 . 1 1 37 37 LEU HD22 H 1 0.846 0.030 . 1 . . . . 37 LEU HD2 . 10314 1 438 . 1 1 37 37 LEU HD23 H 1 0.846 0.030 . 1 . . . . 37 LEU HD2 . 10314 1 439 . 1 1 37 37 LEU HG H 1 1.572 0.030 . 1 . . . . 37 LEU HG . 10314 1 440 . 1 1 37 37 LEU C C 13 174.030 0.300 . 1 . . . . 37 LEU C . 10314 1 441 . 1 1 37 37 LEU CA C 13 53.845 0.300 . 1 . . . . 37 LEU CA . 10314 1 442 . 1 1 37 37 LEU CB C 13 44.684 0.300 . 1 . . . . 37 LEU CB . 10314 1 443 . 1 1 37 37 LEU CD1 C 13 24.347 0.300 . 2 . . . . 37 LEU CD1 . 10314 1 444 . 1 1 37 37 LEU CD2 C 13 25.943 0.300 . 2 . . . . 37 LEU CD2 . 10314 1 445 . 1 1 37 37 LEU CG C 13 28.055 0.300 . 1 . . . . 37 LEU CG . 10314 1 446 . 1 1 37 37 LEU N N 15 127.227 0.300 . 1 . . . . 37 LEU N . 10314 1 447 . 1 1 38 38 ILE H H 1 9.179 0.030 . 1 . . . . 38 ILE H . 10314 1 448 . 1 1 38 38 ILE HA H 1 4.591 0.030 . 1 . . . . 38 ILE HA . 10314 1 449 . 1 1 38 38 ILE HB H 1 1.533 0.030 . 1 . . . . 38 ILE HB . 10314 1 450 . 1 1 38 38 ILE HD11 H 1 0.332 0.030 . 1 . . . . 38 ILE HD1 . 10314 1 451 . 1 1 38 38 ILE HD12 H 1 0.332 0.030 . 1 . . . . 38 ILE HD1 . 10314 1 452 . 1 1 38 38 ILE HD13 H 1 0.332 0.030 . 1 . . . . 38 ILE HD1 . 10314 1 453 . 1 1 38 38 ILE HG12 H 1 0.563 0.030 . 2 . . . . 38 ILE HG12 . 10314 1 454 . 1 1 38 38 ILE HG13 H 1 1.282 0.030 . 2 . . . . 38 ILE HG13 . 10314 1 455 . 1 1 38 38 ILE HG21 H 1 0.642 0.030 . 1 . . . . 38 ILE HG2 . 10314 1 456 . 1 1 38 38 ILE HG22 H 1 0.642 0.030 . 1 . . . . 38 ILE HG2 . 10314 1 457 . 1 1 38 38 ILE HG23 H 1 0.642 0.030 . 1 . . . . 38 ILE HG2 . 10314 1 458 . 1 1 38 38 ILE C C 13 173.081 0.300 . 1 . . . . 38 ILE C . 10314 1 459 . 1 1 38 38 ILE CA C 13 59.855 0.300 . 1 . . . . 38 ILE CA . 10314 1 460 . 1 1 38 38 ILE CB C 13 40.797 0.300 . 1 . . . . 38 ILE CB . 10314 1 461 . 1 1 38 38 ILE CD1 C 13 13.237 0.300 . 1 . . . . 38 ILE CD1 . 10314 1 462 . 1 1 38 38 ILE CG1 C 13 27.625 0.300 . 1 . . . . 38 ILE CG1 . 10314 1 463 . 1 1 38 38 ILE CG2 C 13 17.183 0.300 . 1 . . . . 38 ILE CG2 . 10314 1 464 . 1 1 38 38 ILE N N 15 127.483 0.300 . 1 . . . . 38 ILE N . 10314 1 465 . 1 1 39 39 TYR H H 1 7.521 0.030 . 1 . . . . 39 TYR H . 10314 1 466 . 1 1 39 39 TYR HA H 1 5.835 0.030 . 1 . . . . 39 TYR HA . 10314 1 467 . 1 1 39 39 TYR HB2 H 1 1.524 0.030 . 2 . . . . 39 TYR HB2 . 10314 1 468 . 1 1 39 39 TYR HB3 H 1 1.444 0.030 . 2 . . . . 39 TYR HB3 . 10314 1 469 . 1 1 39 39 TYR HD1 H 1 6.392 0.030 . 1 . . . . 39 TYR HD1 . 10314 1 470 . 1 1 39 39 TYR HD2 H 1 6.392 0.030 . 1 . . . . 39 TYR HD2 . 10314 1 471 . 1 1 39 39 TYR HE1 H 1 6.330 0.030 . 1 . . . . 39 TYR HE1 . 10314 1 472 . 1 1 39 39 TYR HE2 H 1 6.330 0.030 . 1 . . . . 39 TYR HE2 . 10314 1 473 . 1 1 39 39 TYR C C 13 175.360 0.300 . 1 . . . . 39 TYR C . 10314 1 474 . 1 1 39 39 TYR CA C 13 52.314 0.300 . 1 . . . . 39 TYR CA . 10314 1 475 . 1 1 39 39 TYR CB C 13 38.487 0.300 . 1 . . . . 39 TYR CB . 10314 1 476 . 1 1 39 39 TYR CD1 C 13 134.468 0.300 . 1 . . . . 39 TYR CD1 . 10314 1 477 . 1 1 39 39 TYR CD2 C 13 134.468 0.300 . 1 . . . . 39 TYR CD2 . 10314 1 478 . 1 1 39 39 TYR CE1 C 13 117.254 0.300 . 1 . . . . 39 TYR CE1 . 10314 1 479 . 1 1 39 39 TYR CE2 C 13 117.254 0.300 . 1 . . . . 39 TYR CE2 . 10314 1 480 . 1 1 39 39 TYR N N 15 119.952 0.300 . 1 . . . . 39 TYR N . 10314 1 481 . 1 1 40 40 TYR H H 1 9.259 0.030 . 1 . . . . 40 TYR H . 10314 1 482 . 1 1 40 40 TYR HA H 1 5.256 0.030 . 1 . . . . 40 TYR HA . 10314 1 483 . 1 1 40 40 TYR HB2 H 1 3.467 0.030 . 2 . . . . 40 TYR HB2 . 10314 1 484 . 1 1 40 40 TYR HB3 H 1 3.033 0.030 . 2 . . . . 40 TYR HB3 . 10314 1 485 . 1 1 40 40 TYR HD1 H 1 6.646 0.030 . 1 . . . . 40 TYR HD1 . 10314 1 486 . 1 1 40 40 TYR HD2 H 1 6.646 0.030 . 1 . . . . 40 TYR HD2 . 10314 1 487 . 1 1 40 40 TYR HE1 H 1 7.192 0.030 . 1 . . . . 40 TYR HE1 . 10314 1 488 . 1 1 40 40 TYR HE2 H 1 7.192 0.030 . 1 . . . . 40 TYR HE2 . 10314 1 489 . 1 1 40 40 TYR C C 13 176.911 0.300 . 1 . . . . 40 TYR C . 10314 1 490 . 1 1 40 40 TYR CA C 13 56.308 0.300 . 1 . . . . 40 TYR CA . 10314 1 491 . 1 1 40 40 TYR CB C 13 44.078 0.300 . 1 . . . . 40 TYR CB . 10314 1 492 . 1 1 40 40 TYR N N 15 117.577 0.300 . 1 . . . . 40 TYR N . 10314 1 493 . 1 1 41 41 ASP H H 1 8.717 0.030 . 1 . . . . 41 ASP H . 10314 1 494 . 1 1 41 41 ASP HA H 1 4.662 0.030 . 1 . . . . 41 ASP HA . 10314 1 495 . 1 1 41 41 ASP HB2 H 1 2.913 0.030 . 2 . . . . 41 ASP HB2 . 10314 1 496 . 1 1 41 41 ASP HB3 H 1 2.801 0.030 . 2 . . . . 41 ASP HB3 . 10314 1 497 . 1 1 41 41 ASP C C 13 175.391 0.300 . 1 . . . . 41 ASP C . 10314 1 498 . 1 1 41 41 ASP CA C 13 57.737 0.300 . 1 . . . . 41 ASP CA . 10314 1 499 . 1 1 41 41 ASP CB C 13 41.982 0.300 . 1 . . . . 41 ASP CB . 10314 1 500 . 1 1 41 41 ASP N N 15 121.204 0.300 . 1 . . . . 41 ASP N . 10314 1 501 . 1 1 42 42 ASP H H 1 7.880 0.030 . 1 . . . . 42 ASP H . 10314 1 502 . 1 1 42 42 ASP HA H 1 4.977 0.030 . 1 . . . . 42 ASP HA . 10314 1 503 . 1 1 42 42 ASP HB2 H 1 3.227 0.030 . 2 . . . . 42 ASP HB2 . 10314 1 504 . 1 1 42 42 ASP HB3 H 1 3.383 0.030 . 2 . . . . 42 ASP HB3 . 10314 1 505 . 1 1 42 42 ASP C C 13 175.284 0.300 . 1 . . . . 42 ASP C . 10314 1 506 . 1 1 42 42 ASP CA C 13 53.300 0.300 . 1 . . . . 42 ASP CA . 10314 1 507 . 1 1 42 42 ASP CB C 13 42.058 0.300 . 1 . . . . 42 ASP CB . 10314 1 508 . 1 1 42 42 ASP N N 15 109.694 0.300 . 1 . . . . 42 ASP N . 10314 1 509 . 1 1 43 43 GLN H H 1 8.181 0.030 . 1 . . . . 43 GLN H . 10314 1 510 . 1 1 43 43 GLN HA H 1 2.757 0.030 . 1 . . . . 43 GLN HA . 10314 1 511 . 1 1 43 43 GLN HB2 H 1 1.237 0.030 . 2 . . . . 43 GLN HB2 . 10314 1 512 . 1 1 43 43 GLN HB3 H 1 0.792 0.030 . 2 . . . . 43 GLN HB3 . 10314 1 513 . 1 1 43 43 GLN HE21 H 1 6.880 0.030 . 2 . . . . 43 GLN HE21 . 10314 1 514 . 1 1 43 43 GLN HE22 H 1 6.829 0.030 . 2 . . . . 43 GLN HE22 . 10314 1 515 . 1 1 43 43 GLN HG2 H 1 1.550 0.030 . 2 . . . . 43 GLN HG2 . 10314 1 516 . 1 1 43 43 GLN HG3 H 1 1.363 0.030 . 2 . . . . 43 GLN HG3 . 10314 1 517 . 1 1 43 43 GLN C C 13 175.780 0.300 . 1 . . . . 43 GLN C . 10314 1 518 . 1 1 43 43 GLN CA C 13 56.735 0.300 . 1 . . . . 43 GLN CA . 10314 1 519 . 1 1 43 43 GLN CB C 13 27.279 0.300 . 1 . . . . 43 GLN CB . 10314 1 520 . 1 1 43 43 GLN CG C 13 32.672 0.300 . 1 . . . . 43 GLN CG . 10314 1 521 . 1 1 43 43 GLN N N 15 116.783 0.300 . 1 . . . . 43 GLN N . 10314 1 522 . 1 1 43 43 GLN NE2 N 15 111.559 0.300 . 1 . . . . 43 GLN NE2 . 10314 1 523 . 1 1 44 44 THR H H 1 8.278 0.030 . 1 . . . . 44 THR H . 10314 1 524 . 1 1 44 44 THR HA H 1 3.950 0.030 . 1 . . . . 44 THR HA . 10314 1 525 . 1 1 44 44 THR HB H 1 4.220 0.030 . 1 . . . . 44 THR HB . 10314 1 526 . 1 1 44 44 THR HG21 H 1 1.167 0.030 . 1 . . . . 44 THR HG2 . 10314 1 527 . 1 1 44 44 THR HG22 H 1 1.167 0.030 . 1 . . . . 44 THR HG2 . 10314 1 528 . 1 1 44 44 THR HG23 H 1 1.167 0.030 . 1 . . . . 44 THR HG2 . 10314 1 529 . 1 1 44 44 THR C C 13 175.922 0.300 . 1 . . . . 44 THR C . 10314 1 530 . 1 1 44 44 THR CA C 13 63.378 0.300 . 1 . . . . 44 THR CA . 10314 1 531 . 1 1 44 44 THR CB C 13 69.600 0.300 . 1 . . . . 44 THR CB . 10314 1 532 . 1 1 44 44 THR CG2 C 13 21.548 0.300 . 1 . . . . 44 THR CG2 . 10314 1 533 . 1 1 44 44 THR N N 15 111.499 0.300 . 1 . . . . 44 THR N . 10314 1 534 . 1 1 45 45 ARG H H 1 7.390 0.030 . 1 . . . . 45 ARG H . 10314 1 535 . 1 1 45 45 ARG HA H 1 2.774 0.030 . 1 . . . . 45 ARG HA . 10314 1 536 . 1 1 45 45 ARG HB2 H 1 1.611 0.030 . 2 . . . . 45 ARG HB2 . 10314 1 537 . 1 1 45 45 ARG HB3 H 1 1.046 0.030 . 2 . . . . 45 ARG HB3 . 10314 1 538 . 1 1 45 45 ARG HD2 H 1 2.751 0.030 . 2 . . . . 45 ARG HD2 . 10314 1 539 . 1 1 45 45 ARG HD3 H 1 2.912 0.030 . 2 . . . . 45 ARG HD3 . 10314 1 540 . 1 1 45 45 ARG HE H 1 10.198 0.030 . 1 . . . . 45 ARG HE . 10314 1 541 . 1 1 45 45 ARG HG2 H 1 0.170 0.030 . 2 . . . . 45 ARG HG2 . 10314 1 542 . 1 1 45 45 ARG HG3 H 1 0.883 0.030 . 2 . . . . 45 ARG HG3 . 10314 1 543 . 1 1 45 45 ARG C C 13 174.696 0.300 . 1 . . . . 45 ARG C . 10314 1 544 . 1 1 45 45 ARG CA C 13 57.534 0.300 . 1 . . . . 45 ARG CA . 10314 1 545 . 1 1 45 45 ARG CB C 13 26.490 0.300 . 1 . . . . 45 ARG CB . 10314 1 546 . 1 1 45 45 ARG CD C 13 43.598 0.300 . 1 . . . . 45 ARG CD . 10314 1 547 . 1 1 45 45 ARG CG C 13 28.036 0.300 . 1 . . . . 45 ARG CG . 10314 1 548 . 1 1 45 45 ARG N N 15 112.349 0.300 . 1 . . . . 45 ARG N . 10314 1 549 . 1 1 45 45 ARG NE N 15 89.795 0.300 . 1 . . . . 45 ARG NE . 10314 1 550 . 1 1 46 46 GLN H H 1 7.875 0.030 . 1 . . . . 46 GLN H . 10314 1 551 . 1 1 46 46 GLN HA H 1 4.211 0.030 . 1 . . . . 46 GLN HA . 10314 1 552 . 1 1 46 46 GLN HB2 H 1 2.130 0.030 . 2 . . . . 46 GLN HB2 . 10314 1 553 . 1 1 46 46 GLN HB3 H 1 1.931 0.030 . 2 . . . . 46 GLN HB3 . 10314 1 554 . 1 1 46 46 GLN HE21 H 1 7.486 0.030 . 2 . . . . 46 GLN HE21 . 10314 1 555 . 1 1 46 46 GLN HE22 H 1 6.830 0.030 . 2 . . . . 46 GLN HE22 . 10314 1 556 . 1 1 46 46 GLN HG2 H 1 2.334 0.030 . 2 . . . . 46 GLN HG2 . 10314 1 557 . 1 1 46 46 GLN HG3 H 1 2.243 0.030 . 2 . . . . 46 GLN HG3 . 10314 1 558 . 1 1 46 46 GLN C C 13 177.021 0.300 . 1 . . . . 46 GLN C . 10314 1 559 . 1 1 46 46 GLN CA C 13 57.592 0.300 . 1 . . . . 46 GLN CA . 10314 1 560 . 1 1 46 46 GLN CB C 13 30.347 0.300 . 1 . . . . 46 GLN CB . 10314 1 561 . 1 1 46 46 GLN CG C 13 34.367 0.300 . 1 . . . . 46 GLN CG . 10314 1 562 . 1 1 46 46 GLN N N 15 116.768 0.300 . 1 . . . . 46 GLN N . 10314 1 563 . 1 1 46 46 GLN NE2 N 15 112.316 0.300 . 1 . . . . 46 GLN NE2 . 10314 1 564 . 1 1 47 47 SER H H 1 8.123 0.030 . 1 . . . . 47 SER H . 10314 1 565 . 1 1 47 47 SER HA H 1 4.842 0.030 . 1 . . . . 47 SER HA . 10314 1 566 . 1 1 47 47 SER HB2 H 1 3.900 0.030 . 2 . . . . 47 SER HB2 . 10314 1 567 . 1 1 47 47 SER HB3 H 1 3.660 0.030 . 2 . . . . 47 SER HB3 . 10314 1 568 . 1 1 47 47 SER C C 13 173.502 0.300 . 1 . . . . 47 SER C . 10314 1 569 . 1 1 47 47 SER CA C 13 56.501 0.300 . 1 . . . . 47 SER CA . 10314 1 570 . 1 1 47 47 SER CB C 13 63.670 0.300 . 1 . . . . 47 SER CB . 10314 1 571 . 1 1 47 47 SER N N 15 114.137 0.300 . 1 . . . . 47 SER N . 10314 1 572 . 1 1 48 48 ILE H H 1 8.692 0.030 . 1 . . . . 48 ILE H . 10314 1 573 . 1 1 48 48 ILE HA H 1 3.576 0.030 . 1 . . . . 48 ILE HA . 10314 1 574 . 1 1 48 48 ILE HB H 1 1.582 0.030 . 1 . . . . 48 ILE HB . 10314 1 575 . 1 1 48 48 ILE HD11 H 1 0.772 0.030 . 1 . . . . 48 ILE HD1 . 10314 1 576 . 1 1 48 48 ILE HD12 H 1 0.772 0.030 . 1 . . . . 48 ILE HD1 . 10314 1 577 . 1 1 48 48 ILE HD13 H 1 0.772 0.030 . 1 . . . . 48 ILE HD1 . 10314 1 578 . 1 1 48 48 ILE HG12 H 1 0.678 0.030 . 2 . . . . 48 ILE HG12 . 10314 1 579 . 1 1 48 48 ILE HG13 H 1 1.509 0.030 . 2 . . . . 48 ILE HG13 . 10314 1 580 . 1 1 48 48 ILE HG21 H 1 0.466 0.030 . 1 . . . . 48 ILE HG2 . 10314 1 581 . 1 1 48 48 ILE HG22 H 1 0.466 0.030 . 1 . . . . 48 ILE HG2 . 10314 1 582 . 1 1 48 48 ILE HG23 H 1 0.466 0.030 . 1 . . . . 48 ILE HG2 . 10314 1 583 . 1 1 48 48 ILE C C 13 176.382 0.300 . 1 . . . . 48 ILE C . 10314 1 584 . 1 1 48 48 ILE CA C 13 62.745 0.300 . 1 . . . . 48 ILE CA . 10314 1 585 . 1 1 48 48 ILE CB C 13 39.363 0.300 . 1 . . . . 48 ILE CB . 10314 1 586 . 1 1 48 48 ILE CD1 C 13 13.950 0.300 . 1 . . . . 48 ILE CD1 . 10314 1 587 . 1 1 48 48 ILE CG1 C 13 29.441 0.300 . 1 . . . . 48 ILE CG1 . 10314 1 588 . 1 1 48 48 ILE CG2 C 13 16.347 0.300 . 1 . . . . 48 ILE CG2 . 10314 1 589 . 1 1 48 48 ILE N N 15 128.190 0.300 . 1 . . . . 48 ILE N . 10314 1 590 . 1 1 49 49 GLU H H 1 9.264 0.030 . 1 . . . . 49 GLU H . 10314 1 591 . 1 1 49 49 GLU HA H 1 4.340 0.030 . 1 . . . . 49 GLU HA . 10314 1 592 . 1 1 49 49 GLU HB2 H 1 1.501 0.030 . 2 . . . . 49 GLU HB2 . 10314 1 593 . 1 1 49 49 GLU HB3 H 1 1.632 0.030 . 2 . . . . 49 GLU HB3 . 10314 1 594 . 1 1 49 49 GLU HG2 H 1 2.108 0.030 . 2 . . . . 49 GLU HG2 . 10314 1 595 . 1 1 49 49 GLU HG3 H 1 2.052 0.030 . 2 . . . . 49 GLU HG3 . 10314 1 596 . 1 1 49 49 GLU C C 13 175.493 0.300 . 1 . . . . 49 GLU C . 10314 1 597 . 1 1 49 49 GLU CA C 13 57.591 0.300 . 1 . . . . 49 GLU CA . 10314 1 598 . 1 1 49 49 GLU CB C 13 30.512 0.300 . 1 . . . . 49 GLU CB . 10314 1 599 . 1 1 49 49 GLU CG C 13 34.715 0.300 . 1 . . . . 49 GLU CG . 10314 1 600 . 1 1 49 49 GLU N N 15 129.186 0.300 . 1 . . . . 49 GLU N . 10314 1 601 . 1 1 50 50 ASP H H 1 6.651 0.030 . 1 . . . . 50 ASP H . 10314 1 602 . 1 1 50 50 ASP HA H 1 4.132 0.030 . 1 . . . . 50 ASP HA . 10314 1 603 . 1 1 50 50 ASP HB2 H 1 2.367 0.030 . 2 . . . . 50 ASP HB2 . 10314 1 604 . 1 1 50 50 ASP HB3 H 1 2.199 0.030 . 2 . . . . 50 ASP HB3 . 10314 1 605 . 1 1 50 50 ASP C C 13 171.424 0.300 . 1 . . . . 50 ASP C . 10314 1 606 . 1 1 50 50 ASP CA C 13 52.561 0.300 . 1 . . . . 50 ASP CA . 10314 1 607 . 1 1 50 50 ASP CB C 13 43.895 0.300 . 1 . . . . 50 ASP CB . 10314 1 608 . 1 1 50 50 ASP N N 15 115.102 0.300 . 1 . . . . 50 ASP N . 10314 1 609 . 1 1 51 51 LYS H H 1 8.464 0.030 . 1 . . . . 51 LYS H . 10314 1 610 . 1 1 51 51 LYS HA H 1 5.072 0.030 . 1 . . . . 51 LYS HA . 10314 1 611 . 1 1 51 51 LYS HB2 H 1 1.571 0.030 . 2 . . . . 51 LYS HB2 . 10314 1 612 . 1 1 51 51 LYS HB3 H 1 1.446 0.030 . 2 . . . . 51 LYS HB3 . 10314 1 613 . 1 1 51 51 LYS HD2 H 1 1.298 0.030 . 1 . . . . 51 LYS HD2 . 10314 1 614 . 1 1 51 51 LYS HD3 H 1 1.298 0.030 . 1 . . . . 51 LYS HD3 . 10314 1 615 . 1 1 51 51 LYS HE2 H 1 2.612 0.030 . 1 . . . . 51 LYS HE2 . 10314 1 616 . 1 1 51 51 LYS HE3 H 1 2.612 0.030 . 1 . . . . 51 LYS HE3 . 10314 1 617 . 1 1 51 51 LYS HG2 H 1 1.071 0.030 . 2 . . . . 51 LYS HG2 . 10314 1 618 . 1 1 51 51 LYS HG3 H 1 1.163 0.030 . 2 . . . . 51 LYS HG3 . 10314 1 619 . 1 1 51 51 LYS C C 13 174.737 0.300 . 1 . . . . 51 LYS C . 10314 1 620 . 1 1 51 51 LYS CA C 13 54.742 0.300 . 1 . . . . 51 LYS CA . 10314 1 621 . 1 1 51 51 LYS CB C 13 36.494 0.300 . 1 . . . . 51 LYS CB . 10314 1 622 . 1 1 51 51 LYS CD C 13 29.927 0.300 . 1 . . . . 51 LYS CD . 10314 1 623 . 1 1 51 51 LYS CE C 13 41.740 0.300 . 1 . . . . 51 LYS CE . 10314 1 624 . 1 1 51 51 LYS CG C 13 23.514 0.300 . 1 . . . . 51 LYS CG . 10314 1 625 . 1 1 51 51 LYS N N 15 113.767 0.300 . 1 . . . . 51 LYS N . 10314 1 626 . 1 1 52 52 VAL H H 1 9.240 0.030 . 1 . . . . 52 VAL H . 10314 1 627 . 1 1 52 52 VAL HA H 1 4.423 0.030 . 1 . . . . 52 VAL HA . 10314 1 628 . 1 1 52 52 VAL HB H 1 2.135 0.030 . 1 . . . . 52 VAL HB . 10314 1 629 . 1 1 52 52 VAL HG11 H 1 0.999 0.030 . 1 . . . . 52 VAL HG1 . 10314 1 630 . 1 1 52 52 VAL HG12 H 1 0.999 0.030 . 1 . . . . 52 VAL HG1 . 10314 1 631 . 1 1 52 52 VAL HG13 H 1 0.999 0.030 . 1 . . . . 52 VAL HG1 . 10314 1 632 . 1 1 52 52 VAL HG21 H 1 0.962 0.030 . 1 . . . . 52 VAL HG2 . 10314 1 633 . 1 1 52 52 VAL HG22 H 1 0.962 0.030 . 1 . . . . 52 VAL HG2 . 10314 1 634 . 1 1 52 52 VAL HG23 H 1 0.962 0.030 . 1 . . . . 52 VAL HG2 . 10314 1 635 . 1 1 52 52 VAL C C 13 174.222 0.300 . 1 . . . . 52 VAL C . 10314 1 636 . 1 1 52 52 VAL CA C 13 60.652 0.300 . 1 . . . . 52 VAL CA . 10314 1 637 . 1 1 52 52 VAL CB C 13 36.163 0.300 . 1 . . . . 52 VAL CB . 10314 1 638 . 1 1 52 52 VAL CG1 C 13 22.488 0.300 . 2 . . . . 52 VAL CG1 . 10314 1 639 . 1 1 52 52 VAL CG2 C 13 21.094 0.300 . 2 . . . . 52 VAL CG2 . 10314 1 640 . 1 1 52 52 VAL N N 15 121.069 0.300 . 1 . . . . 52 VAL N . 10314 1 641 . 1 1 53 53 HIS H H 1 9.831 0.030 . 1 . . . . 53 HIS H . 10314 1 642 . 1 1 53 53 HIS HA H 1 4.709 0.030 . 1 . . . . 53 HIS HA . 10314 1 643 . 1 1 53 53 HIS HB2 H 1 3.232 0.030 . 2 . . . . 53 HIS HB2 . 10314 1 644 . 1 1 53 53 HIS HB3 H 1 2.612 0.030 . 2 . . . . 53 HIS HB3 . 10314 1 645 . 1 1 53 53 HIS HD2 H 1 5.627 0.030 . 1 . . . . 53 HIS HD2 . 10314 1 646 . 1 1 53 53 HIS HE1 H 1 7.684 0.030 . 1 . . . . 53 HIS HE1 . 10314 1 647 . 1 1 53 53 HIS C C 13 174.952 0.300 . 1 . . . . 53 HIS C . 10314 1 648 . 1 1 53 53 HIS CA C 13 54.303 0.300 . 1 . . . . 53 HIS CA . 10314 1 649 . 1 1 53 53 HIS CB C 13 30.805 0.300 . 1 . . . . 53 HIS CB . 10314 1 650 . 1 1 53 53 HIS CD2 C 13 114.653 0.300 . 1 . . . . 53 HIS CD2 . 10314 1 651 . 1 1 53 53 HIS CE1 C 13 138.386 0.300 . 1 . . . . 53 HIS CE1 . 10314 1 652 . 1 1 53 53 HIS N N 15 128.522 0.300 . 1 . . . . 53 HIS N . 10314 1 653 . 1 1 54 54 MET H H 1 8.453 0.030 . 1 . . . . 54 MET H . 10314 1 654 . 1 1 54 54 MET HA H 1 4.294 0.030 . 1 . . . . 54 MET HA . 10314 1 655 . 1 1 54 54 MET HB2 H 1 1.584 0.030 . 2 . . . . 54 MET HB2 . 10314 1 656 . 1 1 54 54 MET HB3 H 1 2.452 0.030 . 2 . . . . 54 MET HB3 . 10314 1 657 . 1 1 54 54 MET HE1 H 1 1.965 0.030 . 1 . . . . 54 MET HE . 10314 1 658 . 1 1 54 54 MET HE2 H 1 1.965 0.030 . 1 . . . . 54 MET HE . 10314 1 659 . 1 1 54 54 MET HE3 H 1 1.965 0.030 . 1 . . . . 54 MET HE . 10314 1 660 . 1 1 54 54 MET HG2 H 1 3.013 0.030 . 2 . . . . 54 MET HG2 . 10314 1 661 . 1 1 54 54 MET HG3 H 1 2.581 0.030 . 2 . . . . 54 MET HG3 . 10314 1 662 . 1 1 54 54 MET C C 13 175.096 0.300 . 1 . . . . 54 MET C . 10314 1 663 . 1 1 54 54 MET CA C 13 58.612 0.300 . 1 . . . . 54 MET CA . 10314 1 664 . 1 1 54 54 MET CB C 13 27.776 0.300 . 1 . . . . 54 MET CB . 10314 1 665 . 1 1 54 54 MET CE C 13 18.001 0.300 . 1 . . . . 54 MET CE . 10314 1 666 . 1 1 54 54 MET CG C 13 32.244 0.300 . 1 . . . . 54 MET CG . 10314 1 667 . 1 1 54 54 MET N N 15 126.204 0.300 . 1 . . . . 54 MET N . 10314 1 668 . 1 1 55 55 PRO HA H 1 4.525 0.030 . 1 . . . . 55 PRO HA . 10314 1 669 . 1 1 55 55 PRO HB2 H 1 2.323 0.030 . 2 . . . . 55 PRO HB2 . 10314 1 670 . 1 1 55 55 PRO HB3 H 1 1.546 0.030 . 2 . . . . 55 PRO HB3 . 10314 1 671 . 1 1 55 55 PRO HD2 H 1 3.542 0.030 . 2 . . . . 55 PRO HD2 . 10314 1 672 . 1 1 55 55 PRO HD3 H 1 2.322 0.030 . 2 . . . . 55 PRO HD3 . 10314 1 673 . 1 1 55 55 PRO HG2 H 1 2.100 0.030 . 2 . . . . 55 PRO HG2 . 10314 1 674 . 1 1 55 55 PRO HG3 H 1 1.522 0.030 . 2 . . . . 55 PRO HG3 . 10314 1 675 . 1 1 55 55 PRO C C 13 176.519 0.300 . 1 . . . . 55 PRO C . 10314 1 676 . 1 1 55 55 PRO CA C 13 65.736 0.300 . 1 . . . . 55 PRO CA . 10314 1 677 . 1 1 55 55 PRO CB C 13 31.963 0.300 . 1 . . . . 55 PRO CB . 10314 1 678 . 1 1 55 55 PRO CD C 13 50.076 0.300 . 1 . . . . 55 PRO CD . 10314 1 679 . 1 1 55 55 PRO CG C 13 27.785 0.300 . 1 . . . . 55 PRO CG . 10314 1 680 . 1 1 56 56 VAL H H 1 6.573 0.030 . 1 . . . . 56 VAL H . 10314 1 681 . 1 1 56 56 VAL HA H 1 4.112 0.030 . 1 . . . . 56 VAL HA . 10314 1 682 . 1 1 56 56 VAL HB H 1 1.907 0.030 . 1 . . . . 56 VAL HB . 10314 1 683 . 1 1 56 56 VAL HG11 H 1 0.963 0.030 . 1 . . . . 56 VAL HG1 . 10314 1 684 . 1 1 56 56 VAL HG12 H 1 0.963 0.030 . 1 . . . . 56 VAL HG1 . 10314 1 685 . 1 1 56 56 VAL HG13 H 1 0.963 0.030 . 1 . . . . 56 VAL HG1 . 10314 1 686 . 1 1 56 56 VAL HG21 H 1 0.900 0.030 . 1 . . . . 56 VAL HG2 . 10314 1 687 . 1 1 56 56 VAL HG22 H 1 0.900 0.030 . 1 . . . . 56 VAL HG2 . 10314 1 688 . 1 1 56 56 VAL HG23 H 1 0.900 0.030 . 1 . . . . 56 VAL HG2 . 10314 1 689 . 1 1 56 56 VAL C C 13 176.610 0.300 . 1 . . . . 56 VAL C . 10314 1 690 . 1 1 56 56 VAL CA C 13 63.361 0.300 . 1 . . . . 56 VAL CA . 10314 1 691 . 1 1 56 56 VAL CB C 13 34.458 0.300 . 1 . . . . 56 VAL CB . 10314 1 692 . 1 1 56 56 VAL CG1 C 13 21.015 0.300 . 2 . . . . 56 VAL CG1 . 10314 1 693 . 1 1 56 56 VAL CG2 C 13 22.109 0.300 . 2 . . . . 56 VAL CG2 . 10314 1 694 . 1 1 56 56 VAL N N 15 113.059 0.300 . 1 . . . . 56 VAL N . 10314 1 695 . 1 1 57 57 ASP H H 1 8.635 0.030 . 1 . . . . 57 ASP H . 10314 1 696 . 1 1 57 57 ASP HA H 1 4.689 0.030 . 1 . . . . 57 ASP HA . 10314 1 697 . 1 1 57 57 ASP HB2 H 1 2.810 0.030 . 2 . . . . 57 ASP HB2 . 10314 1 698 . 1 1 57 57 ASP HB3 H 1 2.464 0.030 . 2 . . . . 57 ASP HB3 . 10314 1 699 . 1 1 57 57 ASP C C 13 176.728 0.300 . 1 . . . . 57 ASP C . 10314 1 700 . 1 1 57 57 ASP CA C 13 56.396 0.300 . 1 . . . . 57 ASP CA . 10314 1 701 . 1 1 57 57 ASP CB C 13 43.050 0.300 . 1 . . . . 57 ASP CB . 10314 1 702 . 1 1 57 57 ASP N N 15 116.812 0.300 . 1 . . . . 57 ASP N . 10314 1 703 . 1 1 58 58 CYS H H 1 7.401 0.030 . 1 . . . . 58 CYS H . 10314 1 704 . 1 1 58 58 CYS HA H 1 4.555 0.030 . 1 . . . . 58 CYS HA . 10314 1 705 . 1 1 58 58 CYS HB2 H 1 3.084 0.030 . 2 . . . . 58 CYS HB2 . 10314 1 706 . 1 1 58 58 CYS HB3 H 1 2.944 0.030 . 2 . . . . 58 CYS HB3 . 10314 1 707 . 1 1 58 58 CYS C C 13 175.023 0.300 . 1 . . . . 58 CYS C . 10314 1 708 . 1 1 58 58 CYS CA C 13 59.753 0.300 . 1 . . . . 58 CYS CA . 10314 1 709 . 1 1 58 58 CYS CB C 13 28.119 0.300 . 1 . . . . 58 CYS CB . 10314 1 710 . 1 1 58 58 CYS N N 15 115.879 0.300 . 1 . . . . 58 CYS N . 10314 1 711 . 1 1 59 59 ILE H H 1 9.395 0.030 . 1 . . . . 59 ILE H . 10314 1 712 . 1 1 59 59 ILE HA H 1 4.494 0.030 . 1 . . . . 59 ILE HA . 10314 1 713 . 1 1 59 59 ILE HB H 1 1.871 0.030 . 1 . . . . 59 ILE HB . 10314 1 714 . 1 1 59 59 ILE HD11 H 1 0.786 0.030 . 1 . . . . 59 ILE HD1 . 10314 1 715 . 1 1 59 59 ILE HD12 H 1 0.786 0.030 . 1 . . . . 59 ILE HD1 . 10314 1 716 . 1 1 59 59 ILE HD13 H 1 0.786 0.030 . 1 . . . . 59 ILE HD1 . 10314 1 717 . 1 1 59 59 ILE HG12 H 1 1.230 0.030 . 2 . . . . 59 ILE HG12 . 10314 1 718 . 1 1 59 59 ILE HG13 H 1 0.832 0.030 . 2 . . . . 59 ILE HG13 . 10314 1 719 . 1 1 59 59 ILE HG21 H 1 0.853 0.030 . 1 . . . . 59 ILE HG2 . 10314 1 720 . 1 1 59 59 ILE HG22 H 1 0.853 0.030 . 1 . . . . 59 ILE HG2 . 10314 1 721 . 1 1 59 59 ILE HG23 H 1 0.853 0.030 . 1 . . . . 59 ILE HG2 . 10314 1 722 . 1 1 59 59 ILE C C 13 175.567 0.300 . 1 . . . . 59 ILE C . 10314 1 723 . 1 1 59 59 ILE CA C 13 61.426 0.300 . 1 . . . . 59 ILE CA . 10314 1 724 . 1 1 59 59 ILE CB C 13 39.434 0.300 . 1 . . . . 59 ILE CB . 10314 1 725 . 1 1 59 59 ILE CD1 C 13 13.546 0.300 . 1 . . . . 59 ILE CD1 . 10314 1 726 . 1 1 59 59 ILE CG1 C 13 26.937 0.300 . 1 . . . . 59 ILE CG1 . 10314 1 727 . 1 1 59 59 ILE CG2 C 13 17.742 0.300 . 1 . . . . 59 ILE CG2 . 10314 1 728 . 1 1 59 59 ILE N N 15 125.322 0.300 . 1 . . . . 59 ILE N . 10314 1 729 . 1 1 60 60 ASN H H 1 7.952 0.030 . 1 . . . . 60 ASN H . 10314 1 730 . 1 1 60 60 ASN HA H 1 4.768 0.030 . 1 . . . . 60 ASN HA . 10314 1 731 . 1 1 60 60 ASN HB2 H 1 2.827 0.030 . 2 . . . . 60 ASN HB2 . 10314 1 732 . 1 1 60 60 ASN HB3 H 1 2.346 0.030 . 2 . . . . 60 ASN HB3 . 10314 1 733 . 1 1 60 60 ASN HD21 H 1 7.462 0.030 . 2 . . . . 60 ASN HD21 . 10314 1 734 . 1 1 60 60 ASN HD22 H 1 6.852 0.030 . 2 . . . . 60 ASN HD22 . 10314 1 735 . 1 1 60 60 ASN C C 13 172.696 0.300 . 1 . . . . 60 ASN C . 10314 1 736 . 1 1 60 60 ASN CA C 13 53.298 0.300 . 1 . . . . 60 ASN CA . 10314 1 737 . 1 1 60 60 ASN CB C 13 41.735 0.300 . 1 . . . . 60 ASN CB . 10314 1 738 . 1 1 60 60 ASN N N 15 118.689 0.300 . 1 . . . . 60 ASN N . 10314 1 739 . 1 1 60 60 ASN ND2 N 15 111.137 0.300 . 1 . . . . 60 ASN ND2 . 10314 1 740 . 1 1 61 61 ILE H H 1 8.132 0.030 . 1 . . . . 61 ILE H . 10314 1 741 . 1 1 61 61 ILE HA H 1 4.906 0.030 . 1 . . . . 61 ILE HA . 10314 1 742 . 1 1 61 61 ILE HB H 1 1.616 0.030 . 1 . . . . 61 ILE HB . 10314 1 743 . 1 1 61 61 ILE HD11 H 1 0.763 0.030 . 1 . . . . 61 ILE HD1 . 10314 1 744 . 1 1 61 61 ILE HD12 H 1 0.763 0.030 . 1 . . . . 61 ILE HD1 . 10314 1 745 . 1 1 61 61 ILE HD13 H 1 0.763 0.030 . 1 . . . . 61 ILE HD1 . 10314 1 746 . 1 1 61 61 ILE HG12 H 1 0.856 0.030 . 2 . . . . 61 ILE HG12 . 10314 1 747 . 1 1 61 61 ILE HG13 H 1 1.472 0.030 . 2 . . . . 61 ILE HG13 . 10314 1 748 . 1 1 61 61 ILE HG21 H 1 0.700 0.030 . 1 . . . . 61 ILE HG2 . 10314 1 749 . 1 1 61 61 ILE HG22 H 1 0.700 0.030 . 1 . . . . 61 ILE HG2 . 10314 1 750 . 1 1 61 61 ILE HG23 H 1 0.700 0.030 . 1 . . . . 61 ILE HG2 . 10314 1 751 . 1 1 61 61 ILE C C 13 174.987 0.300 . 1 . . . . 61 ILE C . 10314 1 752 . 1 1 61 61 ILE CA C 13 60.617 0.300 . 1 . . . . 61 ILE CA . 10314 1 753 . 1 1 61 61 ILE CB C 13 40.748 0.300 . 1 . . . . 61 ILE CB . 10314 1 754 . 1 1 61 61 ILE CD1 C 13 14.524 0.300 . 1 . . . . 61 ILE CD1 . 10314 1 755 . 1 1 61 61 ILE CG1 C 13 28.632 0.300 . 1 . . . . 61 ILE CG1 . 10314 1 756 . 1 1 61 61 ILE CG2 C 13 17.184 0.300 . 1 . . . . 61 ILE CG2 . 10314 1 757 . 1 1 61 61 ILE N N 15 121.916 0.300 . 1 . . . . 61 ILE N . 10314 1 758 . 1 1 62 62 ARG H H 1 9.014 0.030 . 1 . . . . 62 ARG H . 10314 1 759 . 1 1 62 62 ARG HA H 1 4.872 0.030 . 1 . . . . 62 ARG HA . 10314 1 760 . 1 1 62 62 ARG HB2 H 1 1.686 0.030 . 2 . . . . 62 ARG HB2 . 10314 1 761 . 1 1 62 62 ARG HB3 H 1 1.562 0.030 . 2 . . . . 62 ARG HB3 . 10314 1 762 . 1 1 62 62 ARG HD2 H 1 3.212 0.030 . 2 . . . . 62 ARG HD2 . 10314 1 763 . 1 1 62 62 ARG HD3 H 1 3.092 0.030 . 2 . . . . 62 ARG HD3 . 10314 1 764 . 1 1 62 62 ARG HG2 H 1 1.562 0.030 . 2 . . . . 62 ARG HG2 . 10314 1 765 . 1 1 62 62 ARG HG3 H 1 1.352 0.030 . 2 . . . . 62 ARG HG3 . 10314 1 766 . 1 1 62 62 ARG C C 13 175.036 0.300 . 1 . . . . 62 ARG C . 10314 1 767 . 1 1 62 62 ARG CA C 13 53.792 0.300 . 1 . . . . 62 ARG CA . 10314 1 768 . 1 1 62 62 ARG CB C 13 34.031 0.300 . 1 . . . . 62 ARG CB . 10314 1 769 . 1 1 62 62 ARG CD C 13 43.905 0.300 . 1 . . . . 62 ARG CD . 10314 1 770 . 1 1 62 62 ARG CG C 13 27.296 0.300 . 1 . . . . 62 ARG CG . 10314 1 771 . 1 1 62 62 ARG N N 15 126.376 0.300 . 1 . . . . 62 ARG N . 10314 1 772 . 1 1 63 63 THR H H 1 8.800 0.030 . 1 . . . . 63 THR H . 10314 1 773 . 1 1 63 63 THR HA H 1 4.901 0.030 . 1 . . . . 63 THR HA . 10314 1 774 . 1 1 63 63 THR HB H 1 4.073 0.030 . 1 . . . . 63 THR HB . 10314 1 775 . 1 1 63 63 THR HG21 H 1 1.055 0.030 . 1 . . . . 63 THR HG2 . 10314 1 776 . 1 1 63 63 THR HG22 H 1 1.055 0.030 . 1 . . . . 63 THR HG2 . 10314 1 777 . 1 1 63 63 THR HG23 H 1 1.055 0.030 . 1 . . . . 63 THR HG2 . 10314 1 778 . 1 1 63 63 THR C C 13 175.895 0.300 . 1 . . . . 63 THR C . 10314 1 779 . 1 1 63 63 THR CA C 13 60.531 0.300 . 1 . . . . 63 THR CA . 10314 1 780 . 1 1 63 63 THR CB C 13 72.275 0.300 . 1 . . . . 63 THR CB . 10314 1 781 . 1 1 63 63 THR CG2 C 13 22.572 0.300 . 1 . . . . 63 THR CG2 . 10314 1 782 . 1 1 63 63 THR N N 15 111.863 0.300 . 1 . . . . 63 THR N . 10314 1 783 . 1 1 64 64 GLY H H 1 8.967 0.030 . 1 . . . . 64 GLY H . 10314 1 784 . 1 1 64 64 GLY HA2 H 1 3.959 0.030 . 2 . . . . 64 GLY HA2 . 10314 1 785 . 1 1 64 64 GLY HA3 H 1 4.314 0.030 . 2 . . . . 64 GLY HA3 . 10314 1 786 . 1 1 64 64 GLY C C 13 177.300 0.300 . 1 . . . . 64 GLY C . 10314 1 787 . 1 1 64 64 GLY CA C 13 47.319 0.300 . 1 . . . . 64 GLY CA . 10314 1 788 . 1 1 64 64 GLY N N 15 110.877 0.300 . 1 . . . . 64 GLY N . 10314 1 789 . 1 1 65 65 HIS HA H 1 4.151 0.030 . 1 . . . . 65 HIS HA . 10314 1 790 . 1 1 65 65 HIS HB2 H 1 3.199 0.030 . 2 . . . . 65 HIS HB2 . 10314 1 791 . 1 1 65 65 HIS HB3 H 1 3.132 0.030 . 2 . . . . 65 HIS HB3 . 10314 1 792 . 1 1 65 65 HIS HD2 H 1 7.062 0.030 . 1 . . . . 65 HIS HD2 . 10314 1 793 . 1 1 65 65 HIS HE1 H 1 7.815 0.030 . 1 . . . . 65 HIS HE1 . 10314 1 794 . 1 1 65 65 HIS C C 13 175.632 0.300 . 1 . . . . 65 HIS C . 10314 1 795 . 1 1 65 65 HIS CA C 13 58.999 0.300 . 1 . . . . 65 HIS CA . 10314 1 796 . 1 1 65 65 HIS CB C 13 30.176 0.300 . 1 . . . . 65 HIS CB . 10314 1 797 . 1 1 65 65 HIS CD2 C 13 119.139 0.300 . 1 . . . . 65 HIS CD2 . 10314 1 798 . 1 1 65 65 HIS CE1 C 13 138.593 0.300 . 1 . . . . 65 HIS CE1 . 10314 1 799 . 1 1 66 66 GLU H H 1 7.922 0.030 . 1 . . . . 66 GLU H . 10314 1 800 . 1 1 66 66 GLU HA H 1 4.092 0.030 . 1 . . . . 66 GLU HA . 10314 1 801 . 1 1 66 66 GLU HB2 H 1 2.203 0.030 . 2 . . . . 66 GLU HB2 . 10314 1 802 . 1 1 66 66 GLU HB3 H 1 2.037 0.030 . 2 . . . . 66 GLU HB3 . 10314 1 803 . 1 1 66 66 GLU HG2 H 1 2.328 0.030 . 2 . . . . 66 GLU HG2 . 10314 1 804 . 1 1 66 66 GLU HG3 H 1 2.232 0.030 . 2 . . . . 66 GLU HG3 . 10314 1 805 . 1 1 66 66 GLU C C 13 178.091 0.300 . 1 . . . . 66 GLU C . 10314 1 806 . 1 1 66 66 GLU CA C 13 56.888 0.300 . 1 . . . . 66 GLU CA . 10314 1 807 . 1 1 66 66 GLU CB C 13 31.115 0.300 . 1 . . . . 66 GLU CB . 10314 1 808 . 1 1 66 66 GLU CG C 13 36.258 0.300 . 1 . . . . 66 GLU CG . 10314 1 809 . 1 1 66 66 GLU N N 15 116.921 0.300 . 1 . . . . 66 GLU N . 10314 1 810 . 1 1 67 67 CYS H H 1 7.509 0.030 . 1 . . . . 67 CYS H . 10314 1 811 . 1 1 67 67 CYS HA H 1 3.962 0.030 . 1 . . . . 67 CYS HA . 10314 1 812 . 1 1 67 67 CYS HB2 H 1 2.772 0.030 . 2 . . . . 67 CYS HB2 . 10314 1 813 . 1 1 67 67 CYS HB3 H 1 2.282 0.030 . 2 . . . . 67 CYS HB3 . 10314 1 814 . 1 1 67 67 CYS C C 13 174.677 0.300 . 1 . . . . 67 CYS C . 10314 1 815 . 1 1 67 67 CYS CA C 13 59.843 0.300 . 1 . . . . 67 CYS CA . 10314 1 816 . 1 1 67 67 CYS CB C 13 26.426 0.300 . 1 . . . . 67 CYS CB . 10314 1 817 . 1 1 67 67 CYS N N 15 116.487 0.300 . 1 . . . . 67 CYS N . 10314 1 818 . 1 1 68 68 ARG H H 1 8.115 0.030 . 1 . . . . 68 ARG H . 10314 1 819 . 1 1 68 68 ARG HA H 1 4.442 0.030 . 1 . . . . 68 ARG HA . 10314 1 820 . 1 1 68 68 ARG HB2 H 1 1.792 0.030 . 2 . . . . 68 ARG HB2 . 10314 1 821 . 1 1 68 68 ARG HB3 H 1 1.621 0.030 . 2 . . . . 68 ARG HB3 . 10314 1 822 . 1 1 68 68 ARG HD2 H 1 3.131 0.030 . 1 . . . . 68 ARG HD2 . 10314 1 823 . 1 1 68 68 ARG HD3 H 1 3.131 0.030 . 1 . . . . 68 ARG HD3 . 10314 1 824 . 1 1 68 68 ARG HG2 H 1 1.624 0.030 . 2 . . . . 68 ARG HG2 . 10314 1 825 . 1 1 68 68 ARG HG3 H 1 1.551 0.030 . 2 . . . . 68 ARG HG3 . 10314 1 826 . 1 1 68 68 ARG C C 13 175.992 0.300 . 1 . . . . 68 ARG C . 10314 1 827 . 1 1 68 68 ARG CA C 13 55.483 0.300 . 1 . . . . 68 ARG CA . 10314 1 828 . 1 1 68 68 ARG CB C 13 32.909 0.300 . 1 . . . . 68 ARG CB . 10314 1 829 . 1 1 68 68 ARG CD C 13 43.265 0.300 . 1 . . . . 68 ARG CD . 10314 1 830 . 1 1 68 68 ARG CG C 13 26.803 0.300 . 1 . . . . 68 ARG CG . 10314 1 831 . 1 1 68 68 ARG N N 15 121.059 0.300 . 1 . . . . 68 ARG N . 10314 1 832 . 1 1 69 69 ASP H H 1 8.870 0.030 . 1 . . . . 69 ASP H . 10314 1 833 . 1 1 69 69 ASP HA H 1 4.269 0.030 . 1 . . . . 69 ASP HA . 10314 1 834 . 1 1 69 69 ASP HB2 H 1 2.768 0.030 . 2 . . . . 69 ASP HB2 . 10314 1 835 . 1 1 69 69 ASP HB3 H 1 2.692 0.030 . 2 . . . . 69 ASP HB3 . 10314 1 836 . 1 1 69 69 ASP C C 13 174.605 0.300 . 1 . . . . 69 ASP C . 10314 1 837 . 1 1 69 69 ASP CA C 13 55.335 0.300 . 1 . . . . 69 ASP CA . 10314 1 838 . 1 1 69 69 ASP CB C 13 39.625 0.300 . 1 . . . . 69 ASP CB . 10314 1 839 . 1 1 69 69 ASP N N 15 118.049 0.300 . 1 . . . . 69 ASP N . 10314 1 840 . 1 1 70 70 ILE H H 1 7.514 0.030 . 1 . . . . 70 ILE H . 10314 1 841 . 1 1 70 70 ILE HA H 1 4.659 0.030 . 1 . . . . 70 ILE HA . 10314 1 842 . 1 1 70 70 ILE HB H 1 1.732 0.030 . 1 . . . . 70 ILE HB . 10314 1 843 . 1 1 70 70 ILE HD11 H 1 0.895 0.030 . 1 . . . . 70 ILE HD1 . 10314 1 844 . 1 1 70 70 ILE HD12 H 1 0.895 0.030 . 1 . . . . 70 ILE HD1 . 10314 1 845 . 1 1 70 70 ILE HD13 H 1 0.895 0.030 . 1 . . . . 70 ILE HD1 . 10314 1 846 . 1 1 70 70 ILE HG12 H 1 1.002 0.030 . 2 . . . . 70 ILE HG12 . 10314 1 847 . 1 1 70 70 ILE HG13 H 1 1.338 0.030 . 2 . . . . 70 ILE HG13 . 10314 1 848 . 1 1 70 70 ILE HG21 H 1 0.696 0.030 . 1 . . . . 70 ILE HG2 . 10314 1 849 . 1 1 70 70 ILE HG22 H 1 0.696 0.030 . 1 . . . . 70 ILE HG2 . 10314 1 850 . 1 1 70 70 ILE HG23 H 1 0.696 0.030 . 1 . . . . 70 ILE HG2 . 10314 1 851 . 1 1 70 70 ILE C C 13 173.116 0.300 . 1 . . . . 70 ILE C . 10314 1 852 . 1 1 70 70 ILE CA C 13 58.806 0.300 . 1 . . . . 70 ILE CA . 10314 1 853 . 1 1 70 70 ILE CB C 13 42.116 0.300 . 1 . . . . 70 ILE CB . 10314 1 854 . 1 1 70 70 ILE CD1 C 13 14.827 0.300 . 1 . . . . 70 ILE CD1 . 10314 1 855 . 1 1 70 70 ILE CG1 C 13 26.578 0.300 . 1 . . . . 70 ILE CG1 . 10314 1 856 . 1 1 70 70 ILE CG2 C 13 18.468 0.300 . 1 . . . . 70 ILE CG2 . 10314 1 857 . 1 1 70 70 ILE N N 15 113.390 0.300 . 1 . . . . 70 ILE N . 10314 1 858 . 1 1 71 71 GLN H H 1 8.339 0.030 . 1 . . . . 71 GLN H . 10314 1 859 . 1 1 71 71 GLN HA H 1 4.848 0.030 . 1 . . . . 71 GLN HA . 10314 1 860 . 1 1 71 71 GLN HB2 H 1 2.142 0.030 . 2 . . . . 71 GLN HB2 . 10314 1 861 . 1 1 71 71 GLN HB3 H 1 1.904 0.030 . 2 . . . . 71 GLN HB3 . 10314 1 862 . 1 1 71 71 GLN HE21 H 1 7.571 0.030 . 2 . . . . 71 GLN HE21 . 10314 1 863 . 1 1 71 71 GLN HE22 H 1 6.872 0.030 . 2 . . . . 71 GLN HE22 . 10314 1 864 . 1 1 71 71 GLN HG2 H 1 2.422 0.030 . 1 . . . . 71 GLN HG2 . 10314 1 865 . 1 1 71 71 GLN HG3 H 1 2.422 0.030 . 1 . . . . 71 GLN HG3 . 10314 1 866 . 1 1 71 71 GLN C C 13 173.376 0.300 . 1 . . . . 71 GLN C . 10314 1 867 . 1 1 71 71 GLN CA C 13 52.033 0.300 . 1 . . . . 71 GLN CA . 10314 1 868 . 1 1 71 71 GLN CB C 13 29.913 0.300 . 1 . . . . 71 GLN CB . 10314 1 869 . 1 1 71 71 GLN CG C 13 32.988 0.300 . 1 . . . . 71 GLN CG . 10314 1 870 . 1 1 71 71 GLN N N 15 123.374 0.300 . 1 . . . . 71 GLN N . 10314 1 871 . 1 1 71 71 GLN NE2 N 15 112.626 0.300 . 1 . . . . 71 GLN NE2 . 10314 1 872 . 1 1 72 72 PRO HA H 1 4.269 0.030 . 1 . . . . 72 PRO HA . 10314 1 873 . 1 1 72 72 PRO HB2 H 1 1.962 0.030 . 2 . . . . 72 PRO HB2 . 10314 1 874 . 1 1 72 72 PRO HB3 H 1 1.662 0.030 . 2 . . . . 72 PRO HB3 . 10314 1 875 . 1 1 72 72 PRO HD2 H 1 3.538 0.030 . 2 . . . . 72 PRO HD2 . 10314 1 876 . 1 1 72 72 PRO HD3 H 1 3.765 0.030 . 2 . . . . 72 PRO HD3 . 10314 1 877 . 1 1 72 72 PRO HG2 H 1 2.051 0.030 . 2 . . . . 72 PRO HG2 . 10314 1 878 . 1 1 72 72 PRO HG3 H 1 1.674 0.030 . 2 . . . . 72 PRO HG3 . 10314 1 879 . 1 1 72 72 PRO CA C 13 61.160 0.300 . 1 . . . . 72 PRO CA . 10314 1 880 . 1 1 72 72 PRO CB C 13 30.229 0.300 . 1 . . . . 72 PRO CB . 10314 1 881 . 1 1 72 72 PRO CD C 13 50.031 0.300 . 1 . . . . 72 PRO CD . 10314 1 882 . 1 1 72 72 PRO CG C 13 27.378 0.300 . 1 . . . . 72 PRO CG . 10314 1 883 . 1 1 73 73 PRO HA H 1 4.200 0.030 . 1 . . . . 73 PRO HA . 10314 1 884 . 1 1 73 73 PRO HB2 H 1 1.457 0.030 . 2 . . . . 73 PRO HB2 . 10314 1 885 . 1 1 73 73 PRO HB3 H 1 1.382 0.030 . 2 . . . . 73 PRO HB3 . 10314 1 886 . 1 1 73 73 PRO HD2 H 1 2.812 0.030 . 2 . . . . 73 PRO HD2 . 10314 1 887 . 1 1 73 73 PRO HD3 H 1 1.832 0.030 . 2 . . . . 73 PRO HD3 . 10314 1 888 . 1 1 73 73 PRO HG2 H 1 0.185 0.030 . 2 . . . . 73 PRO HG2 . 10314 1 889 . 1 1 73 73 PRO HG3 H 1 1.163 0.030 . 2 . . . . 73 PRO HG3 . 10314 1 890 . 1 1 73 73 PRO C C 13 175.585 0.300 . 1 . . . . 73 PRO C . 10314 1 891 . 1 1 73 73 PRO CA C 13 62.130 0.300 . 1 . . . . 73 PRO CA . 10314 1 892 . 1 1 73 73 PRO CB C 13 30.781 0.300 . 1 . . . . 73 PRO CB . 10314 1 893 . 1 1 73 73 PRO CD C 13 49.358 0.300 . 1 . . . . 73 PRO CD . 10314 1 894 . 1 1 73 73 PRO CG C 13 26.194 0.300 . 1 . . . . 73 PRO CG . 10314 1 895 . 1 1 74 74 ASP H H 1 8.203 0.030 . 1 . . . . 74 ASP H . 10314 1 896 . 1 1 74 74 ASP HA H 1 4.226 0.030 . 1 . . . . 74 ASP HA . 10314 1 897 . 1 1 74 74 ASP HB2 H 1 2.478 0.030 . 2 . . . . 74 ASP HB2 . 10314 1 898 . 1 1 74 74 ASP HB3 H 1 2.596 0.030 . 2 . . . . 74 ASP HB3 . 10314 1 899 . 1 1 74 74 ASP C C 13 177.084 0.300 . 1 . . . . 74 ASP C . 10314 1 900 . 1 1 74 74 ASP CA C 13 55.987 0.300 . 1 . . . . 74 ASP CA . 10314 1 901 . 1 1 74 74 ASP CB C 13 40.618 0.300 . 1 . . . . 74 ASP CB . 10314 1 902 . 1 1 74 74 ASP N N 15 118.534 0.300 . 1 . . . . 74 ASP N . 10314 1 903 . 1 1 75 75 GLY H H 1 8.602 0.030 . 1 . . . . 75 GLY H . 10314 1 904 . 1 1 75 75 GLY HA2 H 1 4.092 0.030 . 2 . . . . 75 GLY HA2 . 10314 1 905 . 1 1 75 75 GLY HA3 H 1 3.634 0.030 . 2 . . . . 75 GLY HA3 . 10314 1 906 . 1 1 75 75 GLY C C 13 174.444 0.300 . 1 . . . . 75 GLY C . 10314 1 907 . 1 1 75 75 GLY CA C 13 45.402 0.300 . 1 . . . . 75 GLY CA . 10314 1 908 . 1 1 75 75 GLY N N 15 110.695 0.300 . 1 . . . . 75 GLY N . 10314 1 909 . 1 1 76 76 LYS H H 1 7.844 0.030 . 1 . . . . 76 LYS H . 10314 1 910 . 1 1 76 76 LYS HA H 1 4.733 0.030 . 1 . . . . 76 LYS HA . 10314 1 911 . 1 1 76 76 LYS HB2 H 1 1.364 0.030 . 2 . . . . 76 LYS HB2 . 10314 1 912 . 1 1 76 76 LYS HB3 H 1 1.548 0.030 . 2 . . . . 76 LYS HB3 . 10314 1 913 . 1 1 76 76 LYS HD2 H 1 1.472 0.030 . 2 . . . . 76 LYS HD2 . 10314 1 914 . 1 1 76 76 LYS HD3 H 1 1.579 0.030 . 2 . . . . 76 LYS HD3 . 10314 1 915 . 1 1 76 76 LYS HE2 H 1 2.762 0.030 . 2 . . . . 76 LYS HE2 . 10314 1 916 . 1 1 76 76 LYS HE3 H 1 2.942 0.030 . 2 . . . . 76 LYS HE3 . 10314 1 917 . 1 1 76 76 LYS HG2 H 1 1.153 0.030 . 1 . . . . 76 LYS HG2 . 10314 1 918 . 1 1 76 76 LYS HG3 H 1 1.153 0.030 . 1 . . . . 76 LYS HG3 . 10314 1 919 . 1 1 76 76 LYS C C 13 173.618 0.300 . 1 . . . . 76 LYS C . 10314 1 920 . 1 1 76 76 LYS CA C 13 51.901 0.300 . 1 . . . . 76 LYS CA . 10314 1 921 . 1 1 76 76 LYS CB C 13 32.451 0.300 . 1 . . . . 76 LYS CB . 10314 1 922 . 1 1 76 76 LYS CD C 13 28.145 0.300 . 1 . . . . 76 LYS CD . 10314 1 923 . 1 1 76 76 LYS CE C 13 42.448 0.300 . 1 . . . . 76 LYS CE . 10314 1 924 . 1 1 76 76 LYS CG C 13 24.527 0.300 . 1 . . . . 76 LYS CG . 10314 1 925 . 1 1 76 76 LYS N N 15 120.474 0.300 . 1 . . . . 76 LYS N . 10314 1 926 . 1 1 77 77 PRO HA H 1 4.595 0.030 . 1 . . . . 77 PRO HA . 10314 1 927 . 1 1 77 77 PRO HB2 H 1 2.335 0.030 . 2 . . . . 77 PRO HB2 . 10314 1 928 . 1 1 77 77 PRO HB3 H 1 2.112 0.030 . 2 . . . . 77 PRO HB3 . 10314 1 929 . 1 1 77 77 PRO HD2 H 1 3.799 0.030 . 2 . . . . 77 PRO HD2 . 10314 1 930 . 1 1 77 77 PRO HD3 H 1 3.703 0.030 . 2 . . . . 77 PRO HD3 . 10314 1 931 . 1 1 77 77 PRO HG2 H 1 1.992 0.030 . 2 . . . . 77 PRO HG2 . 10314 1 932 . 1 1 77 77 PRO HG3 H 1 2.082 0.030 . 2 . . . . 77 PRO HG3 . 10314 1 933 . 1 1 77 77 PRO C C 13 177.459 0.300 . 1 . . . . 77 PRO C . 10314 1 934 . 1 1 77 77 PRO CA C 13 61.587 0.300 . 1 . . . . 77 PRO CA . 10314 1 935 . 1 1 77 77 PRO CB C 13 32.548 0.300 . 1 . . . . 77 PRO CB . 10314 1 936 . 1 1 77 77 PRO CD C 13 50.350 0.300 . 1 . . . . 77 PRO CD . 10314 1 937 . 1 1 77 77 PRO CG C 13 27.449 0.300 . 1 . . . . 77 PRO CG . 10314 1 938 . 1 1 78 78 ARG H H 1 8.811 0.030 . 1 . . . . 78 ARG H . 10314 1 939 . 1 1 78 78 ARG HA H 1 3.571 0.030 . 1 . . . . 78 ARG HA . 10314 1 940 . 1 1 78 78 ARG HB2 H 1 1.512 0.030 . 2 . . . . 78 ARG HB2 . 10314 1 941 . 1 1 78 78 ARG HB3 H 1 1.410 0.030 . 2 . . . . 78 ARG HB3 . 10314 1 942 . 1 1 78 78 ARG HD2 H 1 3.119 0.030 . 2 . . . . 78 ARG HD2 . 10314 1 943 . 1 1 78 78 ARG HD3 H 1 3.030 0.030 . 2 . . . . 78 ARG HD3 . 10314 1 944 . 1 1 78 78 ARG HG2 H 1 1.633 0.030 . 2 . . . . 78 ARG HG2 . 10314 1 945 . 1 1 78 78 ARG HG3 H 1 1.252 0.030 . 2 . . . . 78 ARG HG3 . 10314 1 946 . 1 1 78 78 ARG C C 13 177.280 0.300 . 1 . . . . 78 ARG C . 10314 1 947 . 1 1 78 78 ARG CA C 13 59.280 0.300 . 1 . . . . 78 ARG CA . 10314 1 948 . 1 1 78 78 ARG CB C 13 29.443 0.300 . 1 . . . . 78 ARG CB . 10314 1 949 . 1 1 78 78 ARG CD C 13 43.000 0.300 . 1 . . . . 78 ARG CD . 10314 1 950 . 1 1 78 78 ARG CG C 13 28.365 0.300 . 1 . . . . 78 ARG CG . 10314 1 951 . 1 1 78 78 ARG N N 15 119.648 0.300 . 1 . . . . 78 ARG N . 10314 1 952 . 1 1 79 79 ASP H H 1 8.078 0.030 . 1 . . . . 79 ASP H . 10314 1 953 . 1 1 79 79 ASP HA H 1 4.309 0.030 . 1 . . . . 79 ASP HA . 10314 1 954 . 1 1 79 79 ASP HB2 H 1 2.819 0.030 . 2 . . . . 79 ASP HB2 . 10314 1 955 . 1 1 79 79 ASP HB3 H 1 2.471 0.030 . 2 . . . . 79 ASP HB3 . 10314 1 956 . 1 1 79 79 ASP C C 13 175.677 0.300 . 1 . . . . 79 ASP C . 10314 1 957 . 1 1 79 79 ASP CA C 13 55.824 0.300 . 1 . . . . 79 ASP CA . 10314 1 958 . 1 1 79 79 ASP CB C 13 41.242 0.300 . 1 . . . . 79 ASP CB . 10314 1 959 . 1 1 79 79 ASP N N 15 112.946 0.300 . 1 . . . . 79 ASP N . 10314 1 960 . 1 1 80 80 CYS H H 1 7.310 0.030 . 1 . . . . 80 CYS H . 10314 1 961 . 1 1 80 80 CYS HA H 1 4.086 0.030 . 1 . . . . 80 CYS HA . 10314 1 962 . 1 1 80 80 CYS HB2 H 1 3.260 0.030 . 2 . . . . 80 CYS HB2 . 10314 1 963 . 1 1 80 80 CYS HB3 H 1 2.684 0.030 . 2 . . . . 80 CYS HB3 . 10314 1 964 . 1 1 80 80 CYS C C 13 173.562 0.300 . 1 . . . . 80 CYS C . 10314 1 965 . 1 1 80 80 CYS CA C 13 61.426 0.300 . 1 . . . . 80 CYS CA . 10314 1 966 . 1 1 80 80 CYS CB C 13 28.746 0.300 . 1 . . . . 80 CYS CB . 10314 1 967 . 1 1 80 80 CYS N N 15 113.173 0.300 . 1 . . . . 80 CYS N . 10314 1 968 . 1 1 81 81 LEU H H 1 7.550 0.030 . 1 . . . . 81 LEU H . 10314 1 969 . 1 1 81 81 LEU HA H 1 4.859 0.030 . 1 . . . . 81 LEU HA . 10314 1 970 . 1 1 81 81 LEU HB2 H 1 2.032 0.030 . 2 . . . . 81 LEU HB2 . 10314 1 971 . 1 1 81 81 LEU HB3 H 1 1.462 0.030 . 2 . . . . 81 LEU HB3 . 10314 1 972 . 1 1 81 81 LEU HD11 H 1 0.744 0.030 . 1 . . . . 81 LEU HD1 . 10314 1 973 . 1 1 81 81 LEU HD12 H 1 0.744 0.030 . 1 . . . . 81 LEU HD1 . 10314 1 974 . 1 1 81 81 LEU HD13 H 1 0.744 0.030 . 1 . . . . 81 LEU HD1 . 10314 1 975 . 1 1 81 81 LEU HD21 H 1 0.722 0.030 . 1 . . . . 81 LEU HD2 . 10314 1 976 . 1 1 81 81 LEU HD22 H 1 0.722 0.030 . 1 . . . . 81 LEU HD2 . 10314 1 977 . 1 1 81 81 LEU HD23 H 1 0.722 0.030 . 1 . . . . 81 LEU HD2 . 10314 1 978 . 1 1 81 81 LEU HG H 1 1.650 0.030 . 1 . . . . 81 LEU HG . 10314 1 979 . 1 1 81 81 LEU C C 13 175.894 0.300 . 1 . . . . 81 LEU C . 10314 1 980 . 1 1 81 81 LEU CA C 13 55.006 0.300 . 1 . . . . 81 LEU CA . 10314 1 981 . 1 1 81 81 LEU CB C 13 45.106 0.300 . 1 . . . . 81 LEU CB . 10314 1 982 . 1 1 81 81 LEU CD1 C 13 26.639 0.300 . 2 . . . . 81 LEU CD1 . 10314 1 983 . 1 1 81 81 LEU CD2 C 13 23.465 0.300 . 2 . . . . 81 LEU CD2 . 10314 1 984 . 1 1 81 81 LEU CG C 13 26.585 0.300 . 1 . . . . 81 LEU CG . 10314 1 985 . 1 1 81 81 LEU N N 15 118.680 0.300 . 1 . . . . 81 LEU N . 10314 1 986 . 1 1 82 82 LEU H H 1 8.617 0.030 . 1 . . . . 82 LEU H . 10314 1 987 . 1 1 82 82 LEU HA H 1 4.862 0.030 . 1 . . . . 82 LEU HA . 10314 1 988 . 1 1 82 82 LEU HB2 H 1 1.546 0.030 . 2 . . . . 82 LEU HB2 . 10314 1 989 . 1 1 82 82 LEU HB3 H 1 1.324 0.030 . 2 . . . . 82 LEU HB3 . 10314 1 990 . 1 1 82 82 LEU HD11 H 1 0.671 0.030 . 1 . . . . 82 LEU HD1 . 10314 1 991 . 1 1 82 82 LEU HD12 H 1 0.671 0.030 . 1 . . . . 82 LEU HD1 . 10314 1 992 . 1 1 82 82 LEU HD13 H 1 0.671 0.030 . 1 . . . . 82 LEU HD1 . 10314 1 993 . 1 1 82 82 LEU HD21 H 1 0.616 0.030 . 1 . . . . 82 LEU HD2 . 10314 1 994 . 1 1 82 82 LEU HD22 H 1 0.616 0.030 . 1 . . . . 82 LEU HD2 . 10314 1 995 . 1 1 82 82 LEU HD23 H 1 0.616 0.030 . 1 . . . . 82 LEU HD2 . 10314 1 996 . 1 1 82 82 LEU HG H 1 1.556 0.030 . 1 . . . . 82 LEU HG . 10314 1 997 . 1 1 82 82 LEU C C 13 174.937 0.300 . 1 . . . . 82 LEU C . 10314 1 998 . 1 1 82 82 LEU CA C 13 55.253 0.300 . 1 . . . . 82 LEU CA . 10314 1 999 . 1 1 82 82 LEU CB C 13 46.176 0.300 . 1 . . . . 82 LEU CB . 10314 1 1000 . 1 1 82 82 LEU CD1 C 13 26.392 0.300 . 2 . . . . 82 LEU CD1 . 10314 1 1001 . 1 1 82 82 LEU CD2 C 13 26.057 0.300 . 2 . . . . 82 LEU CD2 . 10314 1 1002 . 1 1 82 82 LEU CG C 13 27.345 0.300 . 1 . . . . 82 LEU CG . 10314 1 1003 . 1 1 82 82 LEU N N 15 120.902 0.300 . 1 . . . . 82 LEU N . 10314 1 1004 . 1 1 83 83 GLN H H 1 9.301 0.030 . 1 . . . . 83 GLN H . 10314 1 1005 . 1 1 83 83 GLN HA H 1 5.493 0.030 . 1 . . . . 83 GLN HA . 10314 1 1006 . 1 1 83 83 GLN HB2 H 1 1.855 0.030 . 2 . . . . 83 GLN HB2 . 10314 1 1007 . 1 1 83 83 GLN HB3 H 1 1.522 0.030 . 2 . . . . 83 GLN HB3 . 10314 1 1008 . 1 1 83 83 GLN HE21 H 1 7.524 0.030 . 2 . . . . 83 GLN HE21 . 10314 1 1009 . 1 1 83 83 GLN HE22 H 1 7.801 0.030 . 2 . . . . 83 GLN HE22 . 10314 1 1010 . 1 1 83 83 GLN HG2 H 1 2.393 0.030 . 1 . . . . 83 GLN HG2 . 10314 1 1011 . 1 1 83 83 GLN HG3 H 1 2.393 0.030 . 1 . . . . 83 GLN HG3 . 10314 1 1012 . 1 1 83 83 GLN C C 13 174.720 0.300 . 1 . . . . 83 GLN C . 10314 1 1013 . 1 1 83 83 GLN CA C 13 53.951 0.300 . 1 . . . . 83 GLN CA . 10314 1 1014 . 1 1 83 83 GLN CB C 13 33.924 0.300 . 1 . . . . 83 GLN CB . 10314 1 1015 . 1 1 83 83 GLN CG C 13 34.864 0.300 . 1 . . . . 83 GLN CG . 10314 1 1016 . 1 1 83 83 GLN N N 15 120.080 0.300 . 1 . . . . 83 GLN N . 10314 1 1017 . 1 1 83 83 GLN NE2 N 15 115.199 0.300 . 1 . . . . 83 GLN NE2 . 10314 1 1018 . 1 1 84 84 ILE H H 1 8.941 0.030 . 1 . . . . 84 ILE H . 10314 1 1019 . 1 1 84 84 ILE HA H 1 4.201 0.030 . 1 . . . . 84 ILE HA . 10314 1 1020 . 1 1 84 84 ILE HB H 1 1.821 0.030 . 1 . . . . 84 ILE HB . 10314 1 1021 . 1 1 84 84 ILE HD11 H 1 0.664 0.030 . 1 . . . . 84 ILE HD1 . 10314 1 1022 . 1 1 84 84 ILE HD12 H 1 0.664 0.030 . 1 . . . . 84 ILE HD1 . 10314 1 1023 . 1 1 84 84 ILE HD13 H 1 0.664 0.030 . 1 . . . . 84 ILE HD1 . 10314 1 1024 . 1 1 84 84 ILE HG12 H 1 1.462 0.030 . 2 . . . . 84 ILE HG12 . 10314 1 1025 . 1 1 84 84 ILE HG13 H 1 0.722 0.030 . 2 . . . . 84 ILE HG13 . 10314 1 1026 . 1 1 84 84 ILE HG21 H 1 0.912 0.030 . 1 . . . . 84 ILE HG2 . 10314 1 1027 . 1 1 84 84 ILE HG22 H 1 0.912 0.030 . 1 . . . . 84 ILE HG2 . 10314 1 1028 . 1 1 84 84 ILE HG23 H 1 0.912 0.030 . 1 . . . . 84 ILE HG2 . 10314 1 1029 . 1 1 84 84 ILE C C 13 174.415 0.300 . 1 . . . . 84 ILE C . 10314 1 1030 . 1 1 84 84 ILE CA C 13 60.976 0.300 . 1 . . . . 84 ILE CA . 10314 1 1031 . 1 1 84 84 ILE CB C 13 39.665 0.300 . 1 . . . . 84 ILE CB . 10314 1 1032 . 1 1 84 84 ILE CD1 C 13 14.552 0.300 . 1 . . . . 84 ILE CD1 . 10314 1 1033 . 1 1 84 84 ILE CG1 C 13 27.378 0.300 . 1 . . . . 84 ILE CG1 . 10314 1 1034 . 1 1 84 84 ILE CG2 C 13 18.188 0.300 . 1 . . . . 84 ILE CG2 . 10314 1 1035 . 1 1 84 84 ILE N N 15 123.706 0.300 . 1 . . . . 84 ILE N . 10314 1 1036 . 1 1 85 85 VAL H H 1 8.699 0.030 . 1 . . . . 85 VAL H . 10314 1 1037 . 1 1 85 85 VAL HA H 1 4.318 0.030 . 1 . . . . 85 VAL HA . 10314 1 1038 . 1 1 85 85 VAL HB H 1 1.948 0.030 . 1 . . . . 85 VAL HB . 10314 1 1039 . 1 1 85 85 VAL HG11 H 1 0.920 0.030 . 1 . . . . 85 VAL HG1 . 10314 1 1040 . 1 1 85 85 VAL HG12 H 1 0.920 0.030 . 1 . . . . 85 VAL HG1 . 10314 1 1041 . 1 1 85 85 VAL HG13 H 1 0.920 0.030 . 1 . . . . 85 VAL HG1 . 10314 1 1042 . 1 1 85 85 VAL HG21 H 1 0.742 0.030 . 1 . . . . 85 VAL HG2 . 10314 1 1043 . 1 1 85 85 VAL HG22 H 1 0.742 0.030 . 1 . . . . 85 VAL HG2 . 10314 1 1044 . 1 1 85 85 VAL HG23 H 1 0.742 0.030 . 1 . . . . 85 VAL HG2 . 10314 1 1045 . 1 1 85 85 VAL C C 13 176.543 0.300 . 1 . . . . 85 VAL C . 10314 1 1046 . 1 1 85 85 VAL CA C 13 62.640 0.300 . 1 . . . . 85 VAL CA . 10314 1 1047 . 1 1 85 85 VAL CB C 13 32.198 0.300 . 1 . . . . 85 VAL CB . 10314 1 1048 . 1 1 85 85 VAL CG1 C 13 20.910 0.300 . 2 . . . . 85 VAL CG1 . 10314 1 1049 . 1 1 85 85 VAL CG2 C 13 19.642 0.300 . 2 . . . . 85 VAL CG2 . 10314 1 1050 . 1 1 85 85 VAL N N 15 129.125 0.300 . 1 . . . . 85 VAL N . 10314 1 1051 . 1 1 86 86 CYS H H 1 8.921 0.030 . 1 . . . . 86 CYS H . 10314 1 1052 . 1 1 86 86 CYS HA H 1 5.600 0.030 . 1 . . . . 86 CYS HA . 10314 1 1053 . 1 1 86 86 CYS HB2 H 1 3.303 0.030 . 2 . . . . 86 CYS HB2 . 10314 1 1054 . 1 1 86 86 CYS HB3 H 1 3.134 0.030 . 2 . . . . 86 CYS HB3 . 10314 1 1055 . 1 1 86 86 CYS C C 13 175.653 0.300 . 1 . . . . 86 CYS C . 10314 1 1056 . 1 1 86 86 CYS CA C 13 58.119 0.300 . 1 . . . . 86 CYS CA . 10314 1 1057 . 1 1 86 86 CYS CB C 13 30.510 0.300 . 1 . . . . 86 CYS CB . 10314 1 1058 . 1 1 86 86 CYS N N 15 125.388 0.300 . 1 . . . . 86 CYS N . 10314 1 1059 . 1 1 87 87 ARG H H 1 8.652 0.030 . 1 . . . . 87 ARG H . 10314 1 1060 . 1 1 87 87 ARG HA H 1 4.061 0.030 . 1 . . . . 87 ARG HA . 10314 1 1061 . 1 1 87 87 ARG HB2 H 1 1.921 0.030 . 1 . . . . 87 ARG HB2 . 10314 1 1062 . 1 1 87 87 ARG HB3 H 1 1.921 0.030 . 1 . . . . 87 ARG HB3 . 10314 1 1063 . 1 1 87 87 ARG HD2 H 1 3.328 0.030 . 1 . . . . 87 ARG HD2 . 10314 1 1064 . 1 1 87 87 ARG HD3 H 1 3.328 0.030 . 1 . . . . 87 ARG HD3 . 10314 1 1065 . 1 1 87 87 ARG HE H 1 7.270 0.030 . 1 . . . . 87 ARG HE . 10314 1 1066 . 1 1 87 87 ARG HG2 H 1 1.742 0.030 . 1 . . . . 87 ARG HG2 . 10314 1 1067 . 1 1 87 87 ARG HG3 H 1 1.742 0.030 . 1 . . . . 87 ARG HG3 . 10314 1 1068 . 1 1 87 87 ARG CA C 13 58.401 0.300 . 1 . . . . 87 ARG CA . 10314 1 1069 . 1 1 87 87 ARG CB C 13 30.689 0.300 . 1 . . . . 87 ARG CB . 10314 1 1070 . 1 1 87 87 ARG CD C 13 43.289 0.300 . 1 . . . . 87 ARG CD . 10314 1 1071 . 1 1 87 87 ARG CG C 13 27.810 0.300 . 1 . . . . 87 ARG CG . 10314 1 1072 . 1 1 87 87 ARG NE N 15 83.986 0.300 . 1 . . . . 87 ARG NE . 10314 1 1073 . 1 1 88 88 ASP H H 1 8.556 0.030 . 1 . . . . 88 ASP H . 10314 1 1074 . 1 1 88 88 ASP HA H 1 4.432 0.030 . 1 . . . . 88 ASP HA . 10314 1 1075 . 1 1 88 88 ASP HB2 H 1 2.910 0.030 . 2 . . . . 88 ASP HB2 . 10314 1 1076 . 1 1 88 88 ASP HB3 H 1 2.753 0.030 . 2 . . . . 88 ASP HB3 . 10314 1 1077 . 1 1 88 88 ASP CA C 13 54.298 0.300 . 1 . . . . 88 ASP CA . 10314 1 1078 . 1 1 88 88 ASP CB C 13 39.663 0.300 . 1 . . . . 88 ASP CB . 10314 1 1079 . 1 1 88 88 ASP N N 15 116.843 0.300 . 1 . . . . 88 ASP N . 10314 1 1080 . 1 1 89 89 GLY H H 1 8.082 0.030 . 1 . . . . 89 GLY H . 10314 1 1081 . 1 1 89 89 GLY HA2 H 1 3.654 0.030 . 2 . . . . 89 GLY HA2 . 10314 1 1082 . 1 1 89 89 GLY HA3 H 1 4.232 0.030 . 2 . . . . 89 GLY HA3 . 10314 1 1083 . 1 1 89 89 GLY CA C 13 45.349 0.300 . 1 . . . . 89 GLY CA . 10314 1 1084 . 1 1 89 89 GLY N N 15 106.571 0.300 . 1 . . . . 89 GLY N . 10314 1 1085 . 1 1 90 90 LYS H H 1 7.481 0.030 . 1 . . . . 90 LYS H . 10314 1 1086 . 1 1 90 90 LYS HA H 1 4.334 0.030 . 1 . . . . 90 LYS HA . 10314 1 1087 . 1 1 90 90 LYS HB2 H 1 1.855 0.030 . 2 . . . . 90 LYS HB2 . 10314 1 1088 . 1 1 90 90 LYS HB3 H 1 1.734 0.030 . 2 . . . . 90 LYS HB3 . 10314 1 1089 . 1 1 90 90 LYS HD2 H 1 1.712 0.030 . 1 . . . . 90 LYS HD2 . 10314 1 1090 . 1 1 90 90 LYS HD3 H 1 1.712 0.030 . 1 . . . . 90 LYS HD3 . 10314 1 1091 . 1 1 90 90 LYS HE2 H 1 2.939 0.030 . 1 . . . . 90 LYS HE2 . 10314 1 1092 . 1 1 90 90 LYS HE3 H 1 2.939 0.030 . 1 . . . . 90 LYS HE3 . 10314 1 1093 . 1 1 90 90 LYS HG2 H 1 1.443 0.030 . 2 . . . . 90 LYS HG2 . 10314 1 1094 . 1 1 90 90 LYS HG3 H 1 1.202 0.030 . 2 . . . . 90 LYS HG3 . 10314 1 1095 . 1 1 90 90 LYS C C 13 175.034 0.300 . 1 . . . . 90 LYS C . 10314 1 1096 . 1 1 90 90 LYS CA C 13 56.807 0.300 . 1 . . . . 90 LYS CA . 10314 1 1097 . 1 1 90 90 LYS CB C 13 33.327 0.300 . 1 . . . . 90 LYS CB . 10314 1 1098 . 1 1 90 90 LYS CD C 13 29.785 0.300 . 1 . . . . 90 LYS CD . 10314 1 1099 . 1 1 90 90 LYS CE C 13 41.755 0.300 . 1 . . . . 90 LYS CE . 10314 1 1100 . 1 1 90 90 LYS CG C 13 24.874 0.300 . 1 . . . . 90 LYS CG . 10314 1 1101 . 1 1 91 91 THR H H 1 8.549 0.030 . 1 . . . . 91 THR H . 10314 1 1102 . 1 1 91 91 THR HA H 1 5.079 0.030 . 1 . . . . 91 THR HA . 10314 1 1103 . 1 1 91 91 THR HB H 1 3.870 0.030 . 1 . . . . 91 THR HB . 10314 1 1104 . 1 1 91 91 THR HG21 H 1 0.940 0.030 . 1 . . . . 91 THR HG2 . 10314 1 1105 . 1 1 91 91 THR HG22 H 1 0.940 0.030 . 1 . . . . 91 THR HG2 . 10314 1 1106 . 1 1 91 91 THR HG23 H 1 0.940 0.030 . 1 . . . . 91 THR HG2 . 10314 1 1107 . 1 1 91 91 THR C C 13 173.928 0.300 . 1 . . . . 91 THR C . 10314 1 1108 . 1 1 91 91 THR CA C 13 61.672 0.300 . 1 . . . . 91 THR CA . 10314 1 1109 . 1 1 91 91 THR CB C 13 71.087 0.300 . 1 . . . . 91 THR CB . 10314 1 1110 . 1 1 91 91 THR CG2 C 13 21.708 0.300 . 1 . . . . 91 THR CG2 . 10314 1 1111 . 1 1 91 91 THR N N 15 121.299 0.300 . 1 . . . . 91 THR N . 10314 1 1112 . 1 1 92 92 ILE H H 1 9.170 0.030 . 1 . . . . 92 ILE H . 10314 1 1113 . 1 1 92 92 ILE HA H 1 4.222 0.030 . 1 . . . . 92 ILE HA . 10314 1 1114 . 1 1 92 92 ILE HB H 1 1.774 0.030 . 1 . . . . 92 ILE HB . 10314 1 1115 . 1 1 92 92 ILE HD11 H 1 0.858 0.030 . 1 . . . . 92 ILE HD1 . 10314 1 1116 . 1 1 92 92 ILE HD12 H 1 0.858 0.030 . 1 . . . . 92 ILE HD1 . 10314 1 1117 . 1 1 92 92 ILE HD13 H 1 0.858 0.030 . 1 . . . . 92 ILE HD1 . 10314 1 1118 . 1 1 92 92 ILE HG12 H 1 1.140 0.030 . 2 . . . . 92 ILE HG12 . 10314 1 1119 . 1 1 92 92 ILE HG13 H 1 1.450 0.030 . 2 . . . . 92 ILE HG13 . 10314 1 1120 . 1 1 92 92 ILE HG21 H 1 0.681 0.030 . 1 . . . . 92 ILE HG2 . 10314 1 1121 . 1 1 92 92 ILE HG22 H 1 0.681 0.030 . 1 . . . . 92 ILE HG2 . 10314 1 1122 . 1 1 92 92 ILE HG23 H 1 0.681 0.030 . 1 . . . . 92 ILE HG2 . 10314 1 1123 . 1 1 92 92 ILE C C 13 175.221 0.300 . 1 . . . . 92 ILE C . 10314 1 1124 . 1 1 92 92 ILE CA C 13 60.776 0.300 . 1 . . . . 92 ILE CA . 10314 1 1125 . 1 1 92 92 ILE CB C 13 39.515 0.300 . 1 . . . . 92 ILE CB . 10314 1 1126 . 1 1 92 92 ILE CD1 C 13 14.904 0.300 . 1 . . . . 92 ILE CD1 . 10314 1 1127 . 1 1 92 92 ILE CG1 C 13 27.154 0.300 . 1 . . . . 92 ILE CG1 . 10314 1 1128 . 1 1 92 92 ILE CG2 C 13 17.183 0.300 . 1 . . . . 92 ILE CG2 . 10314 1 1129 . 1 1 92 92 ILE N N 15 129.582 0.300 . 1 . . . . 92 ILE N . 10314 1 1130 . 1 1 93 93 SER H H 1 9.133 0.030 . 1 . . . . 93 SER H . 10314 1 1131 . 1 1 93 93 SER HA H 1 4.981 0.030 . 1 . . . . 93 SER HA . 10314 1 1132 . 1 1 93 93 SER HB2 H 1 3.619 0.030 . 1 . . . . 93 SER HB2 . 10314 1 1133 . 1 1 93 93 SER HB3 H 1 3.619 0.030 . 1 . . . . 93 SER HB3 . 10314 1 1134 . 1 1 93 93 SER C C 13 171.867 0.300 . 1 . . . . 93 SER C . 10314 1 1135 . 1 1 93 93 SER CA C 13 59.421 0.300 . 1 . . . . 93 SER CA . 10314 1 1136 . 1 1 93 93 SER CB C 13 63.729 0.300 . 1 . . . . 93 SER CB . 10314 1 1137 . 1 1 93 93 SER N N 15 125.867 0.300 . 1 . . . . 93 SER N . 10314 1 1138 . 1 1 94 94 LEU H H 1 9.374 0.030 . 1 . . . . 94 LEU H . 10314 1 1139 . 1 1 94 94 LEU HA H 1 5.840 0.030 . 1 . . . . 94 LEU HA . 10314 1 1140 . 1 1 94 94 LEU HB2 H 1 1.646 0.030 . 2 . . . . 94 LEU HB2 . 10314 1 1141 . 1 1 94 94 LEU HB3 H 1 0.973 0.030 . 2 . . . . 94 LEU HB3 . 10314 1 1142 . 1 1 94 94 LEU HD11 H 1 0.123 0.030 . 1 . . . . 94 LEU HD1 . 10314 1 1143 . 1 1 94 94 LEU HD12 H 1 0.123 0.030 . 1 . . . . 94 LEU HD1 . 10314 1 1144 . 1 1 94 94 LEU HD13 H 1 0.123 0.030 . 1 . . . . 94 LEU HD1 . 10314 1 1145 . 1 1 94 94 LEU HD21 H 1 0.433 0.030 . 1 . . . . 94 LEU HD2 . 10314 1 1146 . 1 1 94 94 LEU HD22 H 1 0.433 0.030 . 1 . . . . 94 LEU HD2 . 10314 1 1147 . 1 1 94 94 LEU HD23 H 1 0.433 0.030 . 1 . . . . 94 LEU HD2 . 10314 1 1148 . 1 1 94 94 LEU HG H 1 1.269 0.030 . 1 . . . . 94 LEU HG . 10314 1 1149 . 1 1 94 94 LEU C C 13 175.925 0.300 . 1 . . . . 94 LEU C . 10314 1 1150 . 1 1 94 94 LEU CA C 13 53.035 0.300 . 1 . . . . 94 LEU CA . 10314 1 1151 . 1 1 94 94 LEU CB C 13 45.998 0.300 . 1 . . . . 94 LEU CB . 10314 1 1152 . 1 1 94 94 LEU CD1 C 13 23.763 0.300 . 2 . . . . 94 LEU CD1 . 10314 1 1153 . 1 1 94 94 LEU CD2 C 13 25.161 0.300 . 2 . . . . 94 LEU CD2 . 10314 1 1154 . 1 1 94 94 LEU CG C 13 26.639 0.300 . 1 . . . . 94 LEU CG . 10314 1 1155 . 1 1 94 94 LEU N N 15 124.870 0.300 . 1 . . . . 94 LEU N . 10314 1 1156 . 1 1 95 95 CYS H H 1 9.048 0.030 . 1 . . . . 95 CYS H . 10314 1 1157 . 1 1 95 95 CYS HA H 1 4.887 0.030 . 1 . . . . 95 CYS HA . 10314 1 1158 . 1 1 95 95 CYS HB2 H 1 2.232 0.030 . 2 . . . . 95 CYS HB2 . 10314 1 1159 . 1 1 95 95 CYS HB3 H 1 1.420 0.030 . 2 . . . . 95 CYS HB3 . 10314 1 1160 . 1 1 95 95 CYS C C 13 173.663 0.300 . 1 . . . . 95 CYS C . 10314 1 1161 . 1 1 95 95 CYS CA C 13 58.577 0.300 . 1 . . . . 95 CYS CA . 10314 1 1162 . 1 1 95 95 CYS CB C 13 28.785 0.300 . 1 . . . . 95 CYS CB . 10314 1 1163 . 1 1 95 95 CYS N N 15 118.823 0.300 . 1 . . . . 95 CYS N . 10314 1 1164 . 1 1 96 96 ALA H H 1 8.903 0.030 . 1 . . . . 96 ALA H . 10314 1 1165 . 1 1 96 96 ALA HA H 1 4.640 0.030 . 1 . . . . 96 ALA HA . 10314 1 1166 . 1 1 96 96 ALA HB1 H 1 1.548 0.030 . 1 . . . . 96 ALA HB . 10314 1 1167 . 1 1 96 96 ALA HB2 H 1 1.548 0.030 . 1 . . . . 96 ALA HB . 10314 1 1168 . 1 1 96 96 ALA HB3 H 1 1.548 0.030 . 1 . . . . 96 ALA HB . 10314 1 1169 . 1 1 96 96 ALA C C 13 175.897 0.300 . 1 . . . . 96 ALA C . 10314 1 1170 . 1 1 96 96 ALA CA C 13 51.030 0.300 . 1 . . . . 96 ALA CA . 10314 1 1171 . 1 1 96 96 ALA CB C 13 20.431 0.300 . 1 . . . . 96 ALA CB . 10314 1 1172 . 1 1 96 96 ALA N N 15 132.999 0.300 . 1 . . . . 96 ALA N . 10314 1 1173 . 1 1 97 97 GLU H H 1 9.441 0.030 . 1 . . . . 97 GLU H . 10314 1 1174 . 1 1 97 97 GLU HA H 1 4.073 0.030 . 1 . . . . 97 GLU HA . 10314 1 1175 . 1 1 97 97 GLU HB2 H 1 2.131 0.030 . 2 . . . . 97 GLU HB2 . 10314 1 1176 . 1 1 97 97 GLU HB3 H 1 1.922 0.030 . 2 . . . . 97 GLU HB3 . 10314 1 1177 . 1 1 97 97 GLU HG2 H 1 2.387 0.030 . 1 . . . . 97 GLU HG2 . 10314 1 1178 . 1 1 97 97 GLU HG3 H 1 2.387 0.030 . 1 . . . . 97 GLU HG3 . 10314 1 1179 . 1 1 97 97 GLU C C 13 176.464 0.300 . 1 . . . . 97 GLU C . 10314 1 1180 . 1 1 97 97 GLU CA C 13 58.032 0.300 . 1 . . . . 97 GLU CA . 10314 1 1181 . 1 1 97 97 GLU CB C 13 30.700 0.300 . 1 . . . . 97 GLU CB . 10314 1 1182 . 1 1 97 97 GLU CG C 13 36.252 0.300 . 1 . . . . 97 GLU CG . 10314 1 1183 . 1 1 97 97 GLU N N 15 115.876 0.300 . 1 . . . . 97 GLU N . 10314 1 1184 . 1 1 98 98 SER H H 1 7.574 0.030 . 1 . . . . 98 SER H . 10314 1 1185 . 1 1 98 98 SER HA H 1 4.652 0.030 . 1 . . . . 98 SER HA . 10314 1 1186 . 1 1 98 98 SER HB2 H 1 4.253 0.030 . 2 . . . . 98 SER HB2 . 10314 1 1187 . 1 1 98 98 SER HB3 H 1 3.966 0.030 . 2 . . . . 98 SER HB3 . 10314 1 1188 . 1 1 98 98 SER C C 13 174.999 0.300 . 1 . . . . 98 SER C . 10314 1 1189 . 1 1 98 98 SER CA C 13 56.536 0.300 . 1 . . . . 98 SER CA . 10314 1 1190 . 1 1 98 98 SER CB C 13 66.849 0.300 . 1 . . . . 98 SER CB . 10314 1 1191 . 1 1 98 98 SER N N 15 109.286 0.300 . 1 . . . . 98 SER N . 10314 1 1192 . 1 1 99 99 THR H H 1 9.006 0.030 . 1 . . . . 99 THR H . 10314 1 1193 . 1 1 99 99 THR HA H 1 3.754 0.030 . 1 . . . . 99 THR HA . 10314 1 1194 . 1 1 99 99 THR HB H 1 4.142 0.030 . 1 . . . . 99 THR HB . 10314 1 1195 . 1 1 99 99 THR HG21 H 1 1.242 0.030 . 1 . . . . 99 THR HG2 . 10314 1 1196 . 1 1 99 99 THR HG22 H 1 1.242 0.030 . 1 . . . . 99 THR HG2 . 10314 1 1197 . 1 1 99 99 THR HG23 H 1 1.242 0.030 . 1 . . . . 99 THR HG2 . 10314 1 1198 . 1 1 99 99 THR C C 13 176.436 0.300 . 1 . . . . 99 THR C . 10314 1 1199 . 1 1 99 99 THR CA C 13 66.492 0.300 . 1 . . . . 99 THR CA . 10314 1 1200 . 1 1 99 99 THR CB C 13 68.025 0.300 . 1 . . . . 99 THR CB . 10314 1 1201 . 1 1 99 99 THR CG2 C 13 22.737 0.300 . 1 . . . . 99 THR CG2 . 10314 1 1202 . 1 1 99 99 THR N N 15 118.641 0.300 . 1 . . . . 99 THR N . 10314 1 1203 . 1 1 100 100 ASP H H 1 8.271 0.030 . 1 . . . . 100 ASP H . 10314 1 1204 . 1 1 100 100 ASP HA H 1 4.391 0.030 . 1 . . . . 100 ASP HA . 10314 1 1205 . 1 1 100 100 ASP HB2 H 1 2.634 0.030 . 2 . . . . 100 ASP HB2 . 10314 1 1206 . 1 1 100 100 ASP HB3 H 1 2.553 0.030 . 2 . . . . 100 ASP HB3 . 10314 1 1207 . 1 1 100 100 ASP C C 13 178.944 0.300 . 1 . . . . 100 ASP C . 10314 1 1208 . 1 1 100 100 ASP CA C 13 57.599 0.300 . 1 . . . . 100 ASP CA . 10314 1 1209 . 1 1 100 100 ASP CB C 13 40.378 0.300 . 1 . . . . 100 ASP CB . 10314 1 1210 . 1 1 100 100 ASP N N 15 120.654 0.300 . 1 . . . . 100 ASP N . 10314 1 1211 . 1 1 101 101 ASP H H 1 7.906 0.030 . 1 . . . . 101 ASP H . 10314 1 1212 . 1 1 101 101 ASP HA H 1 4.613 0.030 . 1 . . . . 101 ASP HA . 10314 1 1213 . 1 1 101 101 ASP HB2 H 1 2.915 0.030 . 2 . . . . 101 ASP HB2 . 10314 1 1214 . 1 1 101 101 ASP HB3 H 1 2.842 0.030 . 2 . . . . 101 ASP HB3 . 10314 1 1215 . 1 1 101 101 ASP C C 13 177.305 0.300 . 1 . . . . 101 ASP C . 10314 1 1216 . 1 1 101 101 ASP CA C 13 56.976 0.300 . 1 . . . . 101 ASP CA . 10314 1 1217 . 1 1 101 101 ASP CB C 13 42.311 0.300 . 1 . . . . 101 ASP CB . 10314 1 1218 . 1 1 101 101 ASP N N 15 121.312 0.300 . 1 . . . . 101 ASP N . 10314 1 1219 . 1 1 102 102 CYS H H 1 8.133 0.030 . 1 . . . . 102 CYS H . 10314 1 1220 . 1 1 102 102 CYS HA H 1 3.830 0.030 . 1 . . . . 102 CYS HA . 10314 1 1221 . 1 1 102 102 CYS HB2 H 1 3.405 0.030 . 2 . . . . 102 CYS HB2 . 10314 1 1222 . 1 1 102 102 CYS HB3 H 1 2.923 0.030 . 2 . . . . 102 CYS HB3 . 10314 1 1223 . 1 1 102 102 CYS C C 13 176.045 0.300 . 1 . . . . 102 CYS C . 10314 1 1224 . 1 1 102 102 CYS CA C 13 61.686 0.300 . 1 . . . . 102 CYS CA . 10314 1 1225 . 1 1 102 102 CYS CB C 13 26.167 0.300 . 1 . . . . 102 CYS CB . 10314 1 1226 . 1 1 102 102 CYS N N 15 119.771 0.300 . 1 . . . . 102 CYS N . 10314 1 1227 . 1 1 103 103 LEU H H 1 8.342 0.030 . 1 . . . . 103 LEU H . 10314 1 1228 . 1 1 103 103 LEU HA H 1 3.913 0.030 . 1 . . . . 103 LEU HA . 10314 1 1229 . 1 1 103 103 LEU HB2 H 1 1.871 0.030 . 2 . . . . 103 LEU HB2 . 10314 1 1230 . 1 1 103 103 LEU HB3 H 1 1.515 0.030 . 2 . . . . 103 LEU HB3 . 10314 1 1231 . 1 1 103 103 LEU HD11 H 1 0.873 0.030 . 1 . . . . 103 LEU HD1 . 10314 1 1232 . 1 1 103 103 LEU HD12 H 1 0.873 0.030 . 1 . . . . 103 LEU HD1 . 10314 1 1233 . 1 1 103 103 LEU HD13 H 1 0.873 0.030 . 1 . . . . 103 LEU HD1 . 10314 1 1234 . 1 1 103 103 LEU HD21 H 1 0.930 0.030 . 1 . . . . 103 LEU HD2 . 10314 1 1235 . 1 1 103 103 LEU HD22 H 1 0.930 0.030 . 1 . . . . 103 LEU HD2 . 10314 1 1236 . 1 1 103 103 LEU HD23 H 1 0.930 0.030 . 1 . . . . 103 LEU HD2 . 10314 1 1237 . 1 1 103 103 LEU HG H 1 1.842 0.030 . 1 . . . . 103 LEU HG . 10314 1 1238 . 1 1 103 103 LEU C C 13 178.170 0.300 . 1 . . . . 103 LEU C . 10314 1 1239 . 1 1 103 103 LEU CA C 13 57.735 0.300 . 1 . . . . 103 LEU CA . 10314 1 1240 . 1 1 103 103 LEU CB C 13 41.324 0.300 . 1 . . . . 103 LEU CB . 10314 1 1241 . 1 1 103 103 LEU CD1 C 13 23.021 0.300 . 2 . . . . 103 LEU CD1 . 10314 1 1242 . 1 1 103 103 LEU CD2 C 13 25.241 0.300 . 2 . . . . 103 LEU CD2 . 10314 1 1243 . 1 1 103 103 LEU CG C 13 26.954 0.300 . 1 . . . . 103 LEU CG . 10314 1 1244 . 1 1 103 103 LEU N N 15 117.731 0.300 . 1 . . . . 103 LEU N . 10314 1 1245 . 1 1 104 104 ALA H H 1 7.950 0.030 . 1 . . . . 104 ALA H . 10314 1 1246 . 1 1 104 104 ALA HA H 1 4.234 0.030 . 1 . . . . 104 ALA HA . 10314 1 1247 . 1 1 104 104 ALA HB1 H 1 1.461 0.030 . 1 . . . . 104 ALA HB . 10314 1 1248 . 1 1 104 104 ALA HB2 H 1 1.461 0.030 . 1 . . . . 104 ALA HB . 10314 1 1249 . 1 1 104 104 ALA HB3 H 1 1.461 0.030 . 1 . . . . 104 ALA HB . 10314 1 1250 . 1 1 104 104 ALA C C 13 182.366 0.300 . 1 . . . . 104 ALA C . 10314 1 1251 . 1 1 104 104 ALA CA C 13 55.181 0.300 . 1 . . . . 104 ALA CA . 10314 1 1252 . 1 1 104 104 ALA CB C 13 18.144 0.300 . 1 . . . . 104 ALA CB . 10314 1 1253 . 1 1 104 104 ALA N N 15 120.947 0.300 . 1 . . . . 104 ALA N . 10314 1 1254 . 1 1 105 105 TRP H H 1 8.242 0.030 . 1 . . . . 105 TRP H . 10314 1 1255 . 1 1 105 105 TRP HA H 1 4.032 0.030 . 1 . . . . 105 TRP HA . 10314 1 1256 . 1 1 105 105 TRP HB2 H 1 3.204 0.030 . 2 . . . . 105 TRP HB2 . 10314 1 1257 . 1 1 105 105 TRP HB3 H 1 2.862 0.030 . 2 . . . . 105 TRP HB3 . 10314 1 1258 . 1 1 105 105 TRP HD1 H 1 7.168 0.030 . 1 . . . . 105 TRP HD1 . 10314 1 1259 . 1 1 105 105 TRP HE1 H 1 10.630 0.030 . 1 . . . . 105 TRP HE1 . 10314 1 1260 . 1 1 105 105 TRP HE3 H 1 7.191 0.030 . 1 . . . . 105 TRP HE3 . 10314 1 1261 . 1 1 105 105 TRP HH2 H 1 6.651 0.030 . 1 . . . . 105 TRP HH2 . 10314 1 1262 . 1 1 105 105 TRP HZ2 H 1 6.673 0.030 . 1 . . . . 105 TRP HZ2 . 10314 1 1263 . 1 1 105 105 TRP HZ3 H 1 6.683 0.030 . 1 . . . . 105 TRP HZ3 . 10314 1 1264 . 1 1 105 105 TRP C C 13 177.644 0.300 . 1 . . . . 105 TRP C . 10314 1 1265 . 1 1 105 105 TRP CA C 13 61.704 0.300 . 1 . . . . 105 TRP CA . 10314 1 1266 . 1 1 105 105 TRP CB C 13 28.803 0.300 . 1 . . . . 105 TRP CB . 10314 1 1267 . 1 1 105 105 TRP CD1 C 13 127.534 0.300 . 1 . . . . 105 TRP CD1 . 10314 1 1268 . 1 1 105 105 TRP CE3 C 13 118.936 0.300 . 1 . . . . 105 TRP CE3 . 10314 1 1269 . 1 1 105 105 TRP CH2 C 13 123.985 0.300 . 1 . . . . 105 TRP CH2 . 10314 1 1270 . 1 1 105 105 TRP CZ2 C 13 113.658 0.300 . 1 . . . . 105 TRP CZ2 . 10314 1 1271 . 1 1 105 105 TRP CZ3 C 13 120.747 0.300 . 1 . . . . 105 TRP CZ3 . 10314 1 1272 . 1 1 105 105 TRP N N 15 119.250 0.300 . 1 . . . . 105 TRP N . 10314 1 1273 . 1 1 105 105 TRP NE1 N 15 130.000 0.300 . 1 . . . . 105 TRP NE1 . 10314 1 1274 . 1 1 106 106 LYS H H 1 9.034 0.030 . 1 . . . . 106 LYS H . 10314 1 1275 . 1 1 106 106 LYS HA H 1 3.591 0.030 . 1 . . . . 106 LYS HA . 10314 1 1276 . 1 1 106 106 LYS HB2 H 1 1.938 0.030 . 2 . . . . 106 LYS HB2 . 10314 1 1277 . 1 1 106 106 LYS HB3 H 1 1.833 0.030 . 2 . . . . 106 LYS HB3 . 10314 1 1278 . 1 1 106 106 LYS HD2 H 1 1.372 0.030 . 2 . . . . 106 LYS HD2 . 10314 1 1279 . 1 1 106 106 LYS HD3 H 1 1.534 0.030 . 2 . . . . 106 LYS HD3 . 10314 1 1280 . 1 1 106 106 LYS HE2 H 1 2.762 0.030 . 2 . . . . 106 LYS HE2 . 10314 1 1281 . 1 1 106 106 LYS HE3 H 1 2.598 0.030 . 2 . . . . 106 LYS HE3 . 10314 1 1282 . 1 1 106 106 LYS HG2 H 1 1.000 0.030 . 2 . . . . 106 LYS HG2 . 10314 1 1283 . 1 1 106 106 LYS HG3 H 1 1.154 0.030 . 2 . . . . 106 LYS HG3 . 10314 1 1284 . 1 1 106 106 LYS C C 13 178.118 0.300 . 1 . . . . 106 LYS C . 10314 1 1285 . 1 1 106 106 LYS CA C 13 61.283 0.300 . 1 . . . . 106 LYS CA . 10314 1 1286 . 1 1 106 106 LYS CB C 13 32.115 0.300 . 1 . . . . 106 LYS CB . 10314 1 1287 . 1 1 106 106 LYS CD C 13 29.681 0.300 . 1 . . . . 106 LYS CD . 10314 1 1288 . 1 1 106 106 LYS CE C 13 42.178 0.300 . 1 . . . . 106 LYS CE . 10314 1 1289 . 1 1 106 106 LYS CG C 13 24.583 0.300 . 1 . . . . 106 LYS CG . 10314 1 1290 . 1 1 106 106 LYS N N 15 120.864 0.300 . 1 . . . . 106 LYS N . 10314 1 1291 . 1 1 107 107 PHE H H 1 8.402 0.030 . 1 . . . . 107 PHE H . 10314 1 1292 . 1 1 107 107 PHE HA H 1 4.354 0.030 . 1 . . . . 107 PHE HA . 10314 1 1293 . 1 1 107 107 PHE HB2 H 1 3.299 0.030 . 2 . . . . 107 PHE HB2 . 10314 1 1294 . 1 1 107 107 PHE HB3 H 1 3.111 0.030 . 2 . . . . 107 PHE HB3 . 10314 1 1295 . 1 1 107 107 PHE HD1 H 1 7.341 0.030 . 1 . . . . 107 PHE HD1 . 10314 1 1296 . 1 1 107 107 PHE HD2 H 1 7.341 0.030 . 1 . . . . 107 PHE HD2 . 10314 1 1297 . 1 1 107 107 PHE HE1 H 1 7.345 0.030 . 1 . . . . 107 PHE HE1 . 10314 1 1298 . 1 1 107 107 PHE HE2 H 1 7.345 0.030 . 1 . . . . 107 PHE HE2 . 10314 1 1299 . 1 1 107 107 PHE HZ H 1 7.324 0.030 . 1 . . . . 107 PHE HZ . 10314 1 1300 . 1 1 107 107 PHE C C 13 178.853 0.300 . 1 . . . . 107 PHE C . 10314 1 1301 . 1 1 107 107 PHE CA C 13 61.127 0.300 . 1 . . . . 107 PHE CA . 10314 1 1302 . 1 1 107 107 PHE CB C 13 38.316 0.300 . 1 . . . . 107 PHE CB . 10314 1 1303 . 1 1 107 107 PHE CD1 C 13 131.701 0.300 . 1 . . . . 107 PHE CD1 . 10314 1 1304 . 1 1 107 107 PHE CD2 C 13 131.701 0.300 . 1 . . . . 107 PHE CD2 . 10314 1 1305 . 1 1 107 107 PHE CE1 C 13 131.457 0.300 . 1 . . . . 107 PHE CE1 . 10314 1 1306 . 1 1 107 107 PHE CE2 C 13 131.457 0.300 . 1 . . . . 107 PHE CE2 . 10314 1 1307 . 1 1 107 107 PHE CZ C 13 129.797 0.300 . 1 . . . . 107 PHE CZ . 10314 1 1308 . 1 1 107 107 PHE N N 15 116.120 0.300 . 1 . . . . 107 PHE N . 10314 1 1309 . 1 1 108 108 THR H H 1 7.723 0.030 . 1 . . . . 108 THR H . 10314 1 1310 . 1 1 108 108 THR HA H 1 4.042 0.030 . 1 . . . . 108 THR HA . 10314 1 1311 . 1 1 108 108 THR HB H 1 3.949 0.030 . 1 . . . . 108 THR HB . 10314 1 1312 . 1 1 108 108 THR HG21 H 1 1.153 0.030 . 1 . . . . 108 THR HG2 . 10314 1 1313 . 1 1 108 108 THR HG22 H 1 1.153 0.030 . 1 . . . . 108 THR HG2 . 10314 1 1314 . 1 1 108 108 THR HG23 H 1 1.153 0.030 . 1 . . . . 108 THR HG2 . 10314 1 1315 . 1 1 108 108 THR C C 13 177.786 0.300 . 1 . . . . 108 THR C . 10314 1 1316 . 1 1 108 108 THR CA C 13 66.351 0.300 . 1 . . . . 108 THR CA . 10314 1 1317 . 1 1 108 108 THR CB C 13 68.540 0.300 . 1 . . . . 108 THR CB . 10314 1 1318 . 1 1 108 108 THR CG2 C 13 22.820 0.300 . 1 . . . . 108 THR CG2 . 10314 1 1319 . 1 1 108 108 THR N N 15 114.275 0.300 . 1 . . . . 108 THR N . 10314 1 1320 . 1 1 109 109 LEU H H 1 9.213 0.030 . 1 . . . . 109 LEU H . 10314 1 1321 . 1 1 109 109 LEU HA H 1 4.223 0.030 . 1 . . . . 109 LEU HA . 10314 1 1322 . 1 1 109 109 LEU HB2 H 1 2.111 0.030 . 2 . . . . 109 LEU HB2 . 10314 1 1323 . 1 1 109 109 LEU HB3 H 1 1.242 0.030 . 2 . . . . 109 LEU HB3 . 10314 1 1324 . 1 1 109 109 LEU HD11 H 1 0.732 0.030 . 1 . . . . 109 LEU HD1 . 10314 1 1325 . 1 1 109 109 LEU HD12 H 1 0.732 0.030 . 1 . . . . 109 LEU HD1 . 10314 1 1326 . 1 1 109 109 LEU HD13 H 1 0.732 0.030 . 1 . . . . 109 LEU HD1 . 10314 1 1327 . 1 1 109 109 LEU HD21 H 1 1.132 0.030 . 1 . . . . 109 LEU HD2 . 10314 1 1328 . 1 1 109 109 LEU HD22 H 1 1.132 0.030 . 1 . . . . 109 LEU HD2 . 10314 1 1329 . 1 1 109 109 LEU HD23 H 1 1.132 0.030 . 1 . . . . 109 LEU HD2 . 10314 1 1330 . 1 1 109 109 LEU HG H 1 2.284 0.030 . 1 . . . . 109 LEU HG . 10314 1 1331 . 1 1 109 109 LEU C C 13 180.397 0.300 . 1 . . . . 109 LEU C . 10314 1 1332 . 1 1 109 109 LEU CA C 13 57.574 0.300 . 1 . . . . 109 LEU CA . 10314 1 1333 . 1 1 109 109 LEU CB C 13 41.537 0.300 . 1 . . . . 109 LEU CB . 10314 1 1334 . 1 1 109 109 LEU CD1 C 13 26.169 0.300 . 2 . . . . 109 LEU CD1 . 10314 1 1335 . 1 1 109 109 LEU CD2 C 13 23.365 0.300 . 2 . . . . 109 LEU CD2 . 10314 1 1336 . 1 1 109 109 LEU CG C 13 27.296 0.300 . 1 . . . . 109 LEU CG . 10314 1 1337 . 1 1 109 109 LEU N N 15 123.070 0.300 . 1 . . . . 109 LEU N . 10314 1 1338 . 1 1 110 110 GLN H H 1 8.750 0.030 . 1 . . . . 110 GLN H . 10314 1 1339 . 1 1 110 110 GLN HA H 1 3.972 0.030 . 1 . . . . 110 GLN HA . 10314 1 1340 . 1 1 110 110 GLN HB2 H 1 2.273 0.030 . 2 . . . . 110 GLN HB2 . 10314 1 1341 . 1 1 110 110 GLN HB3 H 1 2.110 0.030 . 2 . . . . 110 GLN HB3 . 10314 1 1342 . 1 1 110 110 GLN HE21 H 1 7.413 0.030 . 2 . . . . 110 GLN HE21 . 10314 1 1343 . 1 1 110 110 GLN HE22 H 1 6.853 0.030 . 2 . . . . 110 GLN HE22 . 10314 1 1344 . 1 1 110 110 GLN HG2 H 1 2.466 0.030 . 1 . . . . 110 GLN HG2 . 10314 1 1345 . 1 1 110 110 GLN HG3 H 1 2.466 0.030 . 1 . . . . 110 GLN HG3 . 10314 1 1346 . 1 1 110 110 GLN C C 13 179.665 0.300 . 1 . . . . 110 GLN C . 10314 1 1347 . 1 1 110 110 GLN CA C 13 59.377 0.300 . 1 . . . . 110 GLN CA . 10314 1 1348 . 1 1 110 110 GLN CB C 13 27.922 0.300 . 1 . . . . 110 GLN CB . 10314 1 1349 . 1 1 110 110 GLN CG C 13 33.463 0.300 . 1 . . . . 110 GLN CG . 10314 1 1350 . 1 1 110 110 GLN N N 15 120.726 0.300 . 1 . . . . 110 GLN N . 10314 1 1351 . 1 1 110 110 GLN NE2 N 15 111.121 0.300 . 1 . . . . 110 GLN NE2 . 10314 1 1352 . 1 1 111 111 ASP H H 1 7.931 0.030 . 1 . . . . 111 ASP H . 10314 1 1353 . 1 1 111 111 ASP HA H 1 4.439 0.030 . 1 . . . . 111 ASP HA . 10314 1 1354 . 1 1 111 111 ASP HB2 H 1 2.753 0.030 . 2 . . . . 111 ASP HB2 . 10314 1 1355 . 1 1 111 111 ASP HB3 H 1 2.674 0.030 . 2 . . . . 111 ASP HB3 . 10314 1 1356 . 1 1 111 111 ASP C C 13 178.872 0.300 . 1 . . . . 111 ASP C . 10314 1 1357 . 1 1 111 111 ASP CA C 13 57.310 0.300 . 1 . . . . 111 ASP CA . 10314 1 1358 . 1 1 111 111 ASP CB C 13 40.447 0.300 . 1 . . . . 111 ASP CB . 10314 1 1359 . 1 1 111 111 ASP N N 15 120.504 0.300 . 1 . . . . 111 ASP N . 10314 1 1360 . 1 1 112 112 SER H H 1 7.938 0.030 . 1 . . . . 112 SER H . 10314 1 1361 . 1 1 112 112 SER HA H 1 4.354 0.030 . 1 . . . . 112 SER HA . 10314 1 1362 . 1 1 112 112 SER HB2 H 1 4.143 0.030 . 2 . . . . 112 SER HB2 . 10314 1 1363 . 1 1 112 112 SER HB3 H 1 4.062 0.030 . 2 . . . . 112 SER HB3 . 10314 1 1364 . 1 1 112 112 SER C C 13 175.629 0.300 . 1 . . . . 112 SER C . 10314 1 1365 . 1 1 112 112 SER CA C 13 61.338 0.300 . 1 . . . . 112 SER CA . 10314 1 1366 . 1 1 112 112 SER CB C 13 64.304 0.300 . 1 . . . . 112 SER CB . 10314 1 1367 . 1 1 112 112 SER N N 15 115.968 0.300 . 1 . . . . 112 SER N . 10314 1 1368 . 1 1 113 113 ARG H H 1 7.371 0.030 . 1 . . . . 113 ARG H . 10314 1 1369 . 1 1 113 113 ARG HA H 1 3.666 0.030 . 1 . . . . 113 ARG HA . 10314 1 1370 . 1 1 113 113 ARG HB2 H 1 1.878 0.030 . 2 . . . . 113 ARG HB2 . 10314 1 1371 . 1 1 113 113 ARG HB3 H 1 2.192 0.030 . 2 . . . . 113 ARG HB3 . 10314 1 1372 . 1 1 113 113 ARG HD2 H 1 3.149 0.030 . 1 . . . . 113 ARG HD2 . 10314 1 1373 . 1 1 113 113 ARG HD3 H 1 3.149 0.030 . 1 . . . . 113 ARG HD3 . 10314 1 1374 . 1 1 113 113 ARG HE H 1 7.360 0.030 . 1 . . . . 113 ARG HE . 10314 1 1375 . 1 1 113 113 ARG HG2 H 1 2.132 0.030 . 2 . . . . 113 ARG HG2 . 10314 1 1376 . 1 1 113 113 ARG HG3 H 1 1.344 0.030 . 2 . . . . 113 ARG HG3 . 10314 1 1377 . 1 1 113 113 ARG C C 13 176.428 0.300 . 1 . . . . 113 ARG C . 10314 1 1378 . 1 1 113 113 ARG CA C 13 58.401 0.300 . 1 . . . . 113 ARG CA . 10314 1 1379 . 1 1 113 113 ARG CB C 13 30.841 0.300 . 1 . . . . 113 ARG CB . 10314 1 1380 . 1 1 113 113 ARG CD C 13 44.272 0.300 . 1 . . . . 113 ARG CD . 10314 1 1381 . 1 1 113 113 ARG CG C 13 27.378 0.300 . 1 . . . . 113 ARG CG . 10314 1 1382 . 1 1 113 113 ARG N N 15 118.739 0.300 . 1 . . . . 113 ARG N . 10314 1 1383 . 1 1 113 113 ARG NE N 15 83.903 0.300 . 1 . . . . 113 ARG NE . 10314 1 1384 . 1 1 114 114 THR H H 1 7.602 0.030 . 1 . . . . 114 THR H . 10314 1 1385 . 1 1 114 114 THR HA H 1 4.473 0.030 . 1 . . . . 114 THR HA . 10314 1 1386 . 1 1 114 114 THR HB H 1 4.434 0.030 . 1 . . . . 114 THR HB . 10314 1 1387 . 1 1 114 114 THR HG21 H 1 1.220 0.030 . 1 . . . . 114 THR HG2 . 10314 1 1388 . 1 1 114 114 THR HG22 H 1 1.220 0.030 . 1 . . . . 114 THR HG2 . 10314 1 1389 . 1 1 114 114 THR HG23 H 1 1.220 0.030 . 1 . . . . 114 THR HG2 . 10314 1 1390 . 1 1 114 114 THR C C 13 174.556 0.300 . 1 . . . . 114 THR C . 10314 1 1391 . 1 1 114 114 THR CA C 13 61.602 0.300 . 1 . . . . 114 THR CA . 10314 1 1392 . 1 1 114 114 THR CB C 13 69.484 0.300 . 1 . . . . 114 THR CB . 10314 1 1393 . 1 1 114 114 THR CG2 C 13 21.541 0.300 . 1 . . . . 114 THR CG2 . 10314 1 1394 . 1 1 114 114 THR N N 15 109.077 0.300 . 1 . . . . 114 THR N . 10314 1 1395 . 1 1 115 115 SER H H 1 7.901 0.030 . 1 . . . . 115 SER H . 10314 1 1396 . 1 1 115 115 SER HA H 1 4.494 0.030 . 1 . . . . 115 SER HA . 10314 1 1397 . 1 1 115 115 SER HB2 H 1 3.964 0.030 . 2 . . . . 115 SER HB2 . 10314 1 1398 . 1 1 115 115 SER HB3 H 1 3.851 0.030 . 2 . . . . 115 SER HB3 . 10314 1 1399 . 1 1 115 115 SER C C 13 174.295 0.300 . 1 . . . . 115 SER C . 10314 1 1400 . 1 1 115 115 SER CA C 13 58.999 0.300 . 1 . . . . 115 SER CA . 10314 1 1401 . 1 1 115 115 SER CB C 13 64.181 0.300 . 1 . . . . 115 SER CB . 10314 1 1402 . 1 1 115 115 SER N N 15 118.352 0.300 . 1 . . . . 115 SER N . 10314 1 1403 . 1 1 116 116 GLY H H 1 8.309 0.030 . 1 . . . . 116 GLY H . 10314 1 1404 . 1 1 116 116 GLY HA2 H 1 4.244 0.030 . 2 . . . . 116 GLY HA2 . 10314 1 1405 . 1 1 116 116 GLY HA3 H 1 4.087 0.030 . 2 . . . . 116 GLY HA3 . 10314 1 1406 . 1 1 116 116 GLY C C 13 171.777 0.300 . 1 . . . . 116 GLY C . 10314 1 1407 . 1 1 116 116 GLY CA C 13 44.760 0.300 . 1 . . . . 116 GLY CA . 10314 1 1408 . 1 1 116 116 GLY N N 15 110.402 0.300 . 1 . . . . 116 GLY N . 10314 1 1409 . 1 1 117 117 PRO HA H 1 4.542 0.030 . 1 . . . . 117 PRO HA . 10314 1 1410 . 1 1 117 117 PRO HB2 H 1 2.332 0.030 . 2 . . . . 117 PRO HB2 . 10314 1 1411 . 1 1 117 117 PRO HB3 H 1 2.012 0.030 . 2 . . . . 117 PRO HB3 . 10314 1 1412 . 1 1 117 117 PRO HD2 H 1 3.675 0.030 . 1 . . . . 117 PRO HD2 . 10314 1 1413 . 1 1 117 117 PRO HD3 H 1 3.675 0.030 . 1 . . . . 117 PRO HD3 . 10314 1 1414 . 1 1 117 117 PRO HG2 H 1 2.053 0.030 . 1 . . . . 117 PRO HG2 . 10314 1 1415 . 1 1 117 117 PRO HG3 H 1 2.053 0.030 . 1 . . . . 117 PRO HG3 . 10314 1 1416 . 1 1 117 117 PRO C C 13 177.471 0.300 . 1 . . . . 117 PRO C . 10314 1 1417 . 1 1 117 117 PRO CA C 13 63.256 0.300 . 1 . . . . 117 PRO CA . 10314 1 1418 . 1 1 117 117 PRO CB C 13 32.262 0.300 . 1 . . . . 117 PRO CB . 10314 1 1419 . 1 1 117 117 PRO CD C 13 49.842 0.300 . 1 . . . . 117 PRO CD . 10314 1 1420 . 1 1 117 117 PRO CG C 13 27.229 0.300 . 1 . . . . 117 PRO CG . 10314 1 1421 . 1 1 118 118 SER H H 1 8.579 0.030 . 1 . . . . 118 SER H . 10314 1 1422 . 1 1 118 118 SER HA H 1 4.578 0.030 . 1 . . . . 118 SER HA . 10314 1 1423 . 1 1 118 118 SER HB2 H 1 3.961 0.030 . 1 . . . . 118 SER HB2 . 10314 1 1424 . 1 1 118 118 SER HB3 H 1 3.961 0.030 . 1 . . . . 118 SER HB3 . 10314 1 1425 . 1 1 118 118 SER C C 13 174.803 0.300 . 1 . . . . 118 SER C . 10314 1 1426 . 1 1 118 118 SER CA C 13 58.436 0.300 . 1 . . . . 118 SER CA . 10314 1 1427 . 1 1 118 118 SER CB C 13 64.017 0.300 . 1 . . . . 118 SER CB . 10314 1 1428 . 1 1 118 118 SER N N 15 116.382 0.300 . 1 . . . . 118 SER N . 10314 1 1429 . 1 1 119 119 SER H H 1 8.360 0.030 . 1 . . . . 119 SER H . 10314 1 1430 . 1 1 119 119 SER HA H 1 4.536 0.030 . 1 . . . . 119 SER HA . 10314 1 1431 . 1 1 119 119 SER C C 13 174.018 0.300 . 1 . . . . 119 SER C . 10314 1 1432 . 1 1 119 119 SER CA C 13 58.471 0.300 . 1 . . . . 119 SER CA . 10314 1 1433 . 1 1 119 119 SER CB C 13 64.222 0.300 . 1 . . . . 119 SER CB . 10314 1 1434 . 1 1 119 119 SER N N 15 117.951 0.300 . 1 . . . . 119 SER N . 10314 1 1435 . 1 1 120 120 GLY H H 1 8.073 0.030 . 1 . . . . 120 GLY H . 10314 1 1436 . 1 1 120 120 GLY HA2 H 1 3.795 0.030 . 1 . . . . 120 GLY HA2 . 10314 1 1437 . 1 1 120 120 GLY HA3 H 1 3.795 0.030 . 1 . . . . 120 GLY HA3 . 10314 1 1438 . 1 1 120 120 GLY C C 13 179.068 0.300 . 1 . . . . 120 GLY C . 10314 1 1439 . 1 1 120 120 GLY CA C 13 46.239 0.300 . 1 . . . . 120 GLY CA . 10314 1 1440 . 1 1 120 120 GLY N N 15 116.908 0.300 . 1 . . . . 120 GLY N . 10314 1 stop_ save_